ENMD-2076

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: KXQ762CQTH

Structure
InChI Key BLQYVHBZHAISJM-CMDGGOBGSA-N
Smile Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1
InChI
InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N7
Molecular Weight 375.48
AlogP 3.17
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 72.97
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fibroblast growth factor receptor 3 inhibitor
Primary Target
aurora kinase A
fms related receptor tyrosine kinase 3
kinase insert domain receptor
platelet derived growth factor receptor alpha
protein tyrosine kinase 2
SRC proto-oncogene, non-receptor tyrosine kinase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 14-18 245 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 4414 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 1488 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family
- - 2977 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 129 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase ULK family
- - 476 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - 3783 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 2 subfamily
- - 2348 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 81-295 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 3421 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fak family
- 55 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 93 409 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - 1196 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - 1196 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 1.86-3 8 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 10 487 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 10-20 1858 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - 206 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 10-36 - - -
Enzyme Kinase Protein kinase regulatory subunit
- - 2950 - -
Unclassified protein
- - 8 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Adenocarcinoma, Clear Cell 2 D018262 ClinicalTrials
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Hematologic Neoplasms 1 D019337 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL482968
DrugBank DB16891
EPA CompTox DTXSID60239430
FDA SRS KXQ762CQTH
Guide to Pharmacology 7885
PDB J3A
PubChem 16041424
SureChEMBL SCHEMBL596481
ZINC ZINC000034885047
CONTENTS