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Compound Detail

CHEMBL3194037

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CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3194037
Phase Preclinical
Structure Type MOL
InChI Key VLCPUAZUQXIQNA-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

299.8
MW (Da)
2.80
ALogP
5
HBA
1
HBD
82.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14ClN3O2S
MW 299.78
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.15

Data from ChEMBL 36 via Core Engine