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Compound Detail

CHEMBL1984047

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Cc1ccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1984047
Phase Preclinical
Structure Type MOL
InChI Key YVXAFULDMSQRBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
4.89
ALogP
6
HBA
1
HBD
59.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4OS2
MW 394.53
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.37

Data from ChEMBL 36 via Core Engine