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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

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

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:12:37 UTC 2023
Edited
by admin
on Sat Dec 16 16:12:37 UTC 2023
Record UNII
Z6BYC0F36E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVOTACICLIB
INN  
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 UTC 2023 , Edited by admin on Sat Dec 16 16:12:38 UTC 2023
PRIMARY
NCI_THESAURUS
C163985
Created by admin on Sat Dec 16 16:12:38 UTC 2023 , Edited by admin on Sat Dec 16 16:12:38 UTC 2023
PRIMARY
FDA UNII
Z6BYC0F36E
Created by admin on Sat Dec 16 16:12:38 UTC 2023 , Edited by admin on Sat Dec 16 16:12:38 UTC 2023
PRIMARY
SMS_ID
300000027496
Created by admin on Sat Dec 16 16:12:38 UTC 2023 , Edited by admin on Sat Dec 16 16:12:38 UTC 2023
PRIMARY
PUBCHEM
137150099
Created by admin on Sat Dec 16 16:12:38 UTC 2023 , Edited by admin on Sat Dec 16 16:12:38 UTC 2023
PRIMARY
INN
11378
Created by admin on Sat Dec 16 16:12:38 UTC 2023 , Edited by admin on Sat Dec 16 16:12:38 UTC 2023
PRIMARY
Related Record Type Details
CYCLIN-DEPENDENT KINASE 4
TARGET->WEAK INHIBITOR
IC50
Structure of AVOTACICLIB SULFATE
SALT/SOLVATE -> PARENT
CYCLIN-DEPENDENT KINASE 2
TARGET -> INHIBITOR
IC50
Structure of AVOTACICLIB DIHYDROCHLORIDE
SALT/SOLVATE -> PARENT
Structure of AVOTACICLIB TRIHYDROCHLORIDE
SALT/SOLVATE -> PARENT
CYCLIN-DEPENDENT KINASE 1
TARGET -> INHIBITOR
IC50
CYCLIN-DEPENDENT PROTEIN KINASE 5 HOLOENZYME COMPLEX, P35 VARIANT
TARGET -> INHIBITOR
IC50
CYCLIN-DEPENDENT KINASE 6
OFF TARGET->NON-INHIBITOR
IC50
Related Record Type Details
Structure of AVOTACICLIB
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