Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 98BSN6N516

Structure

InChI Key HNLRRJSKGXOYNO-UHFFFAOYSA-N
Smile COCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1
InChI
InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H26N6O3S
Molecular Weight 466.57
AlogP 2.59
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 107.01
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fibroblast growth factor receptor inhibitor DOI

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1443530-05-9
ChEMBL CHEMBL3963485
DrugBank DB15078
FDA SRS 98BSN6N516
Guide to Pharmacology 9789
PubChem 71611869
SureChEMBL SCHEMBL15023004