CONTELTINIB

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Synonyms:	Conteltinib
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UKNOWN
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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