ATUVECICLIB

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Synonyms:	Atuveciclib
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	63Q7F59W0V

Structure


InChI Key	ACWKGTGIJRCOOM-HHHXNRCGSA-N
Smile	COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@](C)(=N)=O)c2)n1
InChI	InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H18FN5O2S
Molecular Weight	387.44
AlogP	3.61
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	100.85
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	27.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily	-	1100	-	-	-
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily	-	13-380	-	-	-
Other cytosolic protein	-	13-380	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Leukemia	1	D007938	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4439321
FDA SRS	63Q7F59W0V

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