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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H30N8O
Molecular Weight 446.5489
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRILACICLIB

SMILES

CN1CCN(CC1)c2ccc(nc2)N=c3[nH]cc4cc5C(=O)NCC6(CCCCC6)n5c4n3

InChI

InChIKey=PDGKHKMBHVFCMG-UHFFFAOYSA-N
InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)

HIDE SMILES / InChI

Molecular Formula C24H30N8O
Molecular Weight 446.5489
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 Jun 26 06:02:42 UTC 2021
Edited
by admin
on Sat Jun 26 06:02:42 UTC 2021
Record UNII
U6072DO9XG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRILACICLIB
USAN   INN  
Official Name English
G1T28
Code English
2'-((5-(4-METHYLPIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO)-7',8'-DIHYDRO-6'HSPIRO(CYCLOHEXANE-1,9'-PYRAZINO(1',2':1,5)PYRROLO(2,3-D)PYRIMIDIN)-6'-ONE
Systematic Name 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-METHYL-1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-
Systematic Name English
TRILACICLIB [USAN]
Common Name English
TRILACICLIB [INN]
Common Name English
TRILACICLIB [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Sat Jun 26 06:02:42 UTC 2021 , Edited by admin on Sat Jun 26 06:02:42 UTC 2021
NCI_THESAURUS C2185
Created by admin on Sat Jun 26 06:02:42 UTC 2021 , Edited by admin on Sat Jun 26 06:02:42 UTC 2021
Code System Code Type Description
ChEMBL
CHEMBL3544940
Created by admin on Sat Jun 26 06:02:42 UTC 2021 , Edited by admin on Sat Jun 26 06:02:42 UTC 2021
PRIMARY
NCI_THESAURUS
C123281
Created by admin on Sat Jun 26 06:02:42 UTC 2021 , Edited by admin on Sat Jun 26 06:02:42 UTC 2021
PRIMARY
DRUG BANK
DB15442
Created by admin on Sat Jun 26 06:02:42 UTC 2021 , Edited by admin on Sat Jun 26 06:02:42 UTC 2021
PRIMARY
FDA UNII
U6072DO9XG
Created by admin on Sat Jun 26 06:02:42 UTC 2021 , Edited by admin on Sat Jun 26 06:02:42 UTC 2021
PRIMARY
INN
10565
Created by admin on Sat Jun 26 06:02:42 UTC 2021 , Edited by admin on Sat Jun 26 06:02:42 UTC 2021
PRIMARY
CAS
1374743-00-6
Created by admin on Sat Jun 26 06:02:42 UTC 2021 , Edited by admin on Sat Jun 26 06:02:42 UTC 2021
PRIMARY
PUBCHEM
68029831
Created by admin on Sat Jun 26 06:02:42 UTC 2021 , Edited by admin on Sat Jun 26 06:02:42 UTC 2021
PRIMARY
Related Record Type Details
TRANSPORTER -> SUBSTRATE
SALT/SOLVATE -> PARENT
METABOLIC ENZYME -> INDUCER
TARGET -> INHIBITOR
TRANSPORTER -> SUBSTRATE
EXCRETED UNCHANGED
FECAL
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
EXCRETED UNCHANGED
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
blood/plasma ratio PHARMACOKINETIC