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Compound Detail

CHEMBL3728825

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Cn1nc(-c2cccs2)cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3728825
Phase Preclinical
Structure Type MOL
InChI Key XWQFXAUUCFBIPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.9
MW (Da)
5.78
ALogP
5
HBA
1
HBD
46.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14ClN3OS2
MW 399.93
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.29

Data from ChEMBL 36 via Core Engine