Structure

InChI Key CUIHSIWYWATEQL-UHFFFAOYSA-N
Smile Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O
InChI
InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N7O2S
Molecular Weight 437.53
AlogP 3.14
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 119.03
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Primary Target
fms related receptor tyrosine kinase 1
fms related receptor tyrosine kinase 4
kinase insert domain receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 930 - - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO2 subfamily
- - 610 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- - 4000-4000 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - 2200-2200 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family
- - 2100-2100 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - 2000-2000 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase PITSLRE subfamily
- - 1300-1300 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - 1200-1200 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 1900-1900 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase nmo subfamily
- - 4400-4400 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - 7100-7100 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 200-200 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family
- - 980-980 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PEK family Other protein kinase PKR
- - 1900-1900 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 290-290 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TTK family
- - 150-150 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase ULK family
- - 470-470 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family STE protein kinase MEKK2
- - 290 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 2900 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - 1600-1600 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - 310-310 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 84-84 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - 1800 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 4100-4100 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - 800-800 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LISK family TKL protein kinase LIMK subfamily
- - 390-390 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - 740-740 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- - 430-730 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- 873 260-260 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - 2200-2200 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 2 subfamily
- - 2400-2400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - 380-4400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ack family
- - 980 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Alk family
- - 6800 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - 3300-3300 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- 50-51 57-581 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fer family
- - 2700-2700 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 140-163 620-740 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - 6900-6900 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - 6900-6900 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- - 2000-3400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 74-118 2-1000 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 270-5900 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Sev family
- - 920-920 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family Tyrosine protein kinase Srm
- - 2500-2500 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - 1200-1200 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
- - 4700 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- - 2600-2600 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- - 700-700 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 5-34 14-14 - 95
Enzyme Kinase Protein Kinase
- 5-34 2-1000 - 95
Enzyme Transferase
- - 1900 - -
Membrane receptor
- - 81 - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 10300 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 8100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Neoplasms 4 D009369 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Carcinoma, Renal Cell 3 D002292 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Carcinoma, Renal Cell 3 D002292 ClinicalTrials
Sarcoma 3 D012509 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Neoplasms, Germ Cell and Embryonal 2 D009373 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Chondrosarcoma 2 D002813 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Thyroid Neoplasms 2 D013964 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Telangiectasia, Hereditary Hemorrhagic 2 D013683 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Glioma 2 D005910 ClinicalTrials
Solitary Fibrous Tumors 2 D054364 ClinicalTrials
Gastrointestinal Stromal Tumors 2 D046152 ClinicalTrials
Lymphedema 2 D008209 ClinicalTrials
Leiomyosarcoma 2 D007890 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Liposarcoma 2 D008080 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Osteosarcoma 2 D012516 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Kidney Neoplasms 2 D007680 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Hemangiosarcoma 2 D006394 ClinicalTrials
Sarcoma, Alveolar Soft Part 2 D018234 ClinicalTrials
Gliosarcoma 2 D018316 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Dermatofibrosarcoma 2 D018223 ClinicalTrials
Macular Degeneration 2 D008268 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Salivary Gland Neoplasms 2 D012468 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Corneal Neovascularization 1 D016510 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Psoriasis 1 D011565 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 444731-52-6
ChEBI 71219
ChEMBL CHEMBL477772
DrugBank DB06589
DrugCentral 4118
EPA CompTox DTXSID8048733
FDA SRS 7RN5DR86CK
Guide to Pharmacology 5698
PubChem 10113978
SureChEMBL SCHEMBL588608
ZINC ZINC000011617039