CEDIRANIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EK02
UNII: NQU9IPY4K9

Structure
InChI Key XXJWYDDUDKYVKI-UHFFFAOYSA-N
Smile COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
InChI
InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27FN4O3
Molecular Weight 450.51
AlogP 5.22
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 72.5
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Platelet-derived growth factor receptor inhibitor PubMed
Primary Target
fms related receptor tyrosine kinase 1
fms related receptor tyrosine kinase 4
kinase insert domain receptor
KIT proto-oncogene, receptor tyrosine kinase
platelet derived growth factor receptor alpha
platelet derived growth factor receptor beta
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - 2100 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase unique family
- - 540 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - 2800 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - 2100 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 1700 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NKF4 family
- - 5 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PEK family Other protein kinase HRI
- - 3100 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 2100 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 250 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - 100 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - 2000 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - 4300 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 22 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - 5000 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase YSK subfamily
- - 4500 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 1500 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- - 98 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR1
- - 3400 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - 1500 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - 20-2800 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Alk family
- - 4300 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - 2600 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 2 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - 84-7400 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- - 1100 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - 23-35 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- - 370-580 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - 0-820 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 6-3800 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - 1100 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- - 4300 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- - 140 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 1-4 1 - -
Enzyme
- 1-4 20-2800 - -
Membrane receptor
- - 220 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ovarian Neoplasms 3 D010051 ClinicalTrials
Glioblastoma 3 D005909 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Ovarian Neoplasms 3 D010051 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Sarcoma, Alveolar Soft Part 2 D018234 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Uterine Cervical Neoplasms 2 D002583 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Neoplasm Metastasis 1 D009362 ClinicalTrials
Thyroid Neoplasms 1 D013964 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Peritoneal Neoplasms 1 D010534 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials
Endometrial Neoplasms 1 D016889 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 288383-20-0
ChEBI 94782
ChEMBL CHEMBL491473
DrugBank DB04849
EPA CompTox DTXSID10183035
FDA SRS NQU9IPY4K9
Guide to Pharmacology 5664
PubChem 9933475
SureChEMBL SCHEMBL63147
ZINC ZINC000003948085
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