AVOTACICLIB

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H11N7O
Molecular Weight	281.2727
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AVOTACICLIB

Structure Search

SMILES

NC1=NC=CC(=N1)C2=NC(=C(O)C=C2)C3=NC(N)=NC=C3

InChI

InChIKey=VFVAQKKPFOPZEA-UHFFFAOYSA-N

InChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)

HIDE SMILES / InChI

Molecular Formula	C13H11N7O
Molecular Weight	281.2727
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:12:37 GMT 2023` Edited by `admin` on `Sat Dec 16 16:12:37 GMT 2023`
Record UNII	Z6BYC0F36E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AVOTACICLIB

Official Name

English

Avotaciclib [WHO-DD]

Common Name

English

BEY1107

Code

English

BEY-1107

Code

English

avotaciclib [INN]

Common Name

English

CDK1 INHIBITOR BEY1107

Common Name

English

3-PYRIDINOL, 2,6-BIS(2-AMINO-4-PYRIMIDINYL)-

Systematic Name

English

2,6-BIS(2-AMINOPYRIMIDIN-4-YL)PYRIDIN-3-OL

Systematic Name

English

Code System Code Type Description

CAS

1983983-41-0

Created by admin on Sat Dec 16 16:12:38 GMT 2023 , Edited by admin on Sat Dec 16 16:12:38 GMT 2023

PRIMARY

NCI_THESAURUS

C163985

Created by admin on Sat Dec 16 16:12:38 GMT 2023 , Edited by admin on Sat Dec 16 16:12:38 GMT 2023

PRIMARY

FDA UNII

Z6BYC0F36E

Created by admin on Sat Dec 16 16:12:38 GMT 2023 , Edited by admin on Sat Dec 16 16:12:38 GMT 2023

PRIMARY

SMS_ID

300000027496

Created by admin on Sat Dec 16 16:12:38 GMT 2023 , Edited by admin on Sat Dec 16 16:12:38 GMT 2023

PRIMARY

PUBCHEM

137150099

Created by admin on Sat Dec 16 16:12:38 GMT 2023 , Edited by admin on Sat Dec 16 16:12:38 GMT 2023

PRIMARY

INN

11378

Created by admin on Sat Dec 16 16:12:38 GMT 2023 , Edited by admin on Sat Dec 16 16:12:38 GMT 2023

PRIMARY

Related Record Type Details


					5M46696SR5

CYCLIN-DEPENDENT KINASE 4

TARGET->WEAK INHIBITOR

Qualification:

IC50

Amount:


					0M760UF9EV

AVOTACICLIB SULFATE

SALT/SOLVATE -> PARENT

Amount:


					IEQ8K30M47

CYCLIN-DEPENDENT KINASE 2

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					LX4BQ9YN2J

AVOTACICLIB DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					8O91L56L8V

AVOTACICLIB TRIHYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					HI5PG5B00P

CYCLIN-DEPENDENT KINASE 1

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					8WC77Y8M4Q

CYCLIN-DEPENDENT PROTEIN KINASE 5 HOLOENZYME COMPLEX, P35 VARIANT

TARGET -> INHIBITOR

Qualification:

IC50

Amount:


					VC4EQE3CAI

CYCLIN-DEPENDENT KINASE 6

OFF TARGET->NON-INHIBITOR

Qualification:

IC50

Amount:

Related Record Type Details


					Z6BYC0F36E

ACTIVE MOIETY

Amount: