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Details

Stereochemistry ACHIRAL
Molecular Formula C11H10Cl2N4
Molecular Weight 269.13
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TH-287

SMILES

CNC1=CC(=NC(N)=N1)C2=C(Cl)C(Cl)=CC=C2

InChI

InChIKey=URWCXPXBBITYLR-UHFFFAOYSA-N
InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C11H10Cl2N4
Molecular Weight 269.13
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P36639
Gene ID: 4521.0
Gene Symbol: NUDT1
Target Organism: Homo sapiens (Human)
0.8 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:22:47 GMT 2023
Edited
by admin
on Sat Dec 16 19:22:47 GMT 2023
Record UNII
R6DCB5MSM2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TH-287
Code English
2,4-Pyrimidinediamine, 6-(2,3-dichlorophenyl)-N4-methyl-
Systematic Name English
TH287
Code English
Code System Code Type Description
PUBCHEM
73441664
Created by admin on Sat Dec 16 19:22:47 GMT 2023 , Edited by admin on Sat Dec 16 19:22:47 GMT 2023
PRIMARY
CAS
1609960-30-6
Created by admin on Sat Dec 16 19:22:47 GMT 2023 , Edited by admin on Sat Dec 16 19:22:47 GMT 2023
PRIMARY
FDA UNII
R6DCB5MSM2
Created by admin on Sat Dec 16 19:22:47 GMT 2023 , Edited by admin on Sat Dec 16 19:22:47 GMT 2023
PRIMARY
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ACTIVE MOIETY