U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C26H34N8O
Molecular Weight 474.6012
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEROCICLIB

SMILES

CC(C)N1CCN(CC1)C2=CC=C(NC3=NC=C4C=C5N(C4=N3)C6(CCCCC6)CNC5=O)N=C2

InChI

InChIKey=YPJRHEKCFKOVRT-UHFFFAOYSA-N
InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)

HIDE SMILES / InChI

Molecular Formula C26H34N8O
Molecular Weight 474.6012
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 14:18:51 GMT 2023
Edited
by admin
on Sat Dec 16 14:18:51 GMT 2023
Record UNII
WBH8AY6ENB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEROCICLIB
INN   USAN  
Official Name English
lerociclib [INN]
Common Name English
LEROCICLIB [USAN]
Common Name English
G1T38
Code English
SPIRO(CYCLOHEXANE-1,9'(6'H)-PYRAZINO(1',2':1,5)PYRROLO(2,3-D)PYRIMIDIN)-6'-ONE, 7',8'-DIHYDRO-2'-((5-(4-(1-METHYLETHYL)-1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-
Systematic Name English
Lerociclib [WHO-DD]
Common Name English
G1T38 FREE BASE
Code English
7',8'-DIHYDRO-2'-((5-(4-(1-METHYLETHYL)-1-PIPERAZINYL)-2-PYRIDINYL)AMINO)SPIRO(CYCLOHEXANE-1,9'(6'H)-PYRAZINO(1',2':1,5)PYRROLO(2,3-D)PYRIMIDIN)-6'-ONE
Systematic Name English
2'-((5-(4-(PROPAN-2-YL)PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO)-7',8'-DIHYDROSPIRO(CYCLOHEXANE-1,9'(6'H)-PYRAZINO(1',2':1,5)PYRROLO(2,3-D)PYRIMIDIN)-6'-ONE
Systematic Name English
G1T-38
Code English
Code System Code Type Description
SMS_ID
300000005945
Created by admin on Sat Dec 16 14:18:51 GMT 2023 , Edited by admin on Sat Dec 16 14:18:51 GMT 2023
PRIMARY
NCI_THESAURUS
C138165
Created by admin on Sat Dec 16 14:18:51 GMT 2023 , Edited by admin on Sat Dec 16 14:18:51 GMT 2023
PRIMARY
PUBCHEM
86269224
Created by admin on Sat Dec 16 14:18:51 GMT 2023 , Edited by admin on Sat Dec 16 14:18:51 GMT 2023
PRIMARY
FDA UNII
WBH8AY6ENB
Created by admin on Sat Dec 16 14:18:51 GMT 2023 , Edited by admin on Sat Dec 16 14:18:51 GMT 2023
PRIMARY
CAS
1628256-23-4
Created by admin on Sat Dec 16 14:18:51 GMT 2023 , Edited by admin on Sat Dec 16 14:18:51 GMT 2023
PRIMARY
INN
11013
Created by admin on Sat Dec 16 14:18:51 GMT 2023 , Edited by admin on Sat Dec 16 14:18:51 GMT 2023
PRIMARY
USAN
EF-75
Created by admin on Sat Dec 16 14:18:51 GMT 2023 , Edited by admin on Sat Dec 16 14:18:51 GMT 2023
PRIMARY
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TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
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TARGET -> INHIBITOR
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ACTIVE MOIETY