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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H12FN5O
Molecular Weight 309.2978
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-3177833

SMILES

C[C@@]1(NC(=O)C2=CC(=CC=C12)C3=CNN=C3)C4=NC=NC=C4F

InChI

InChIKey=KNLVLWZENYQYRT-INIZCTEOSA-N
InChI=1S/C16H12FN5O/c1-16(14-13(17)7-18-8-19-14)12-3-2-9(10-5-20-21-6-10)4-11(12)15(23)22-16/h2-8H,1H3,(H,20,21)(H,22,23)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H12FN5O
Molecular Weight 309.2978
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P50613
Gene ID: 1022.0
Gene Symbol: CDK7
Target Organism: Homo sapiens (Human)
3.3 nM [IC50]
Substance Class Chemical
Created
by admin
on Wed Apr 02 18:12:19 GMT 2025
Edited
by admin
on Wed Apr 02 18:12:19 GMT 2025
Record UNII
4WQ9JW2B4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LY3177833
Preferred Name English
LY-3177833
Code English
1H-Isoindol-1-one, 3-(5-fluoro-4-pyrimidinyl)-2,3-dihydro-3-methyl-6-(1H-pyrazol-4-yl)-, (3S)-
Systematic Name English
(3S)-3-(5-Fluoro-4-pyrimidinyl)-2,3-dihydro-3-methyl-6-(1H-pyrazol-4-yl)-1H-isoindol-1-one
Systematic Name English
Code System Code Type Description
PUBCHEM
90409488
Created by admin on Wed Apr 02 18:12:19 GMT 2025 , Edited by admin on Wed Apr 02 18:12:19 GMT 2025
PRIMARY
FDA UNII
4WQ9JW2B4V
Created by admin on Wed Apr 02 18:12:19 GMT 2025 , Edited by admin on Wed Apr 02 18:12:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID201122079
Created by admin on Wed Apr 02 18:12:19 GMT 2025 , Edited by admin on Wed Apr 02 18:12:19 GMT 2025
PRIMARY
CAS
1627696-52-9
Created by admin on Wed Apr 02 18:12:19 GMT 2025 , Edited by admin on Wed Apr 02 18:12:19 GMT 2025
PRIMARY
Related Record Type Details
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