CONTELTINIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: URX2UMQ8XV

Structure
InChI Key NPJCURIANJMFEO-UHFFFAOYSA-N
Smile COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2
InChI
InChI=1S/C32H45N9O3S/c1-22(2)38-45(42,43)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)44-4)40-15-12-23(13-16-40)41-19-17-39(3)18-20-41/h5-10,21-23,38H,11-20H2,1-4H3,(H3,33,34,35,36,37)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H45N9O3S
Molecular Weight 635.84
AlogP 3.84
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 126.99
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 45.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR ALK tyrosine kinase receptor inhibitor PubMed PubMed ClinicalTrials PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3899477
FDA SRS URX2UMQ8XV
Guide to Pharmacology 9763
SureChEMBL SCHEMBL15333520
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