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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30N6O3S
Molecular Weight 518.631
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Stereo Comments Axial

SHOW SMILES / InChI
Structure of JNJ-64264681

SMILES

CC(C)CC1=NC=C(N2C(=O)NC3=C(SC4=C3C2=CC=N4)C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)C(C)=C1

InChI

InChIKey=OPLNLPWGEZNZFL-ZWKOTPCHSA-N
InChI=1S/C27H30N6O3S/c1-5-21(34)30-17-7-6-8-18(17)31-25(35)24-23-22-19(9-10-28-26(22)37-24)33(27(36)32-23)20-13-29-16(11-14(2)3)12-15(20)4/h5,9-10,12-14,17-18H,1,6-8,11H2,2-4H3,(H,30,34)(H,31,35)(H,32,36)/t17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30N6O3S
Molecular Weight 518.631
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:30:25 GMT 2025
Edited
by admin
on Wed Apr 02 08:30:25 GMT 2025
Record UNII
Y8U0XA0OJE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3H-1-Thia-3,5,8-triazaacenaphthylene-2-carboxamide, 4,5-dihydro-5-[4-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-oxo-N-[(1R,2S)-2-[(1-oxo-2-propen-1-yl)amino]cyclopentyl]-
Preferred Name English
JNJ-64264681
Common Name English
Code System Code Type Description
PUBCHEM
129234005
Created by admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025
PRIMARY
FDA UNII
Y8U0XA0OJE
Created by admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025
PRIMARY
SMS_ID
300000051642
Created by admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025
PRIMARY
NCI_THESAURUS
C179289
Created by admin on Wed Apr 02 08:30:25 GMT 2025 , Edited by admin on Wed Apr 02 08:30:25 GMT 2025
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING
TARGET -> INHIBITOR
94.9 % inhibition at 1 micromolar
IC50
TARGET -> INHIBITOR
77.6 % inhibition at 1 micromolar
IC50
TARGET -> INHIBITOR
IRREVERSIBLE INHIBITOR
Ki
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
k(inactivation)
Related Record Type Details
ACTIVE MOIETY