ERDAFITINIB

Search structure
Trade Names:
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EX16
UNII: 890E37NHMV

Structure
InChI Key OLAHOMJCDNXHFI-UHFFFAOYSA-N
Smile COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChI
InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30N6O2
Molecular Weight 446.56
AlogP 4.18
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 77.33
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fibroblast growth factor receptor inhibitor FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 3-3 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 37-37 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder Neoplasms 4 D001749 ClinicalTrials
Urinary Bladder Neoplasms 4 D001749 FDA
Urinary Bladder Neoplasms 4 D001749 ClinicalTrials
Neoplasms 4 D009369 ClinicalTrials
Urogenital Neoplasms 3 D014565 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
27.78
Eye disorders
22.22
Investigations
11.11
Skin and subcutaneous tissue disorders
11.11
Gastrointestinal disorders
5.56
Infections and infestations
5.56
Injury, poisoning and procedural complications
5.56
Metabolism and nutrition disorders
5.56
Nervous system disorders
5.56

Cross References

Resources Reference
CAS NUMBER 1346242-81-6
ChEMBL CHEMBL3545376
DrugBank DB12147
DrugCentral 5327
FDA SRS 890E37NHMV
Guide to Pharmacology 9039
PDB 5SF
PubChem 67462786
SureChEMBL SCHEMBL2583760
ZINC ZINC000168520308
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