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Compound Detail

CHEMBL3218746

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Cc1ccc(NC(=O)CSc2nc3ccc(N)cc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218746
Phase Preclinical
Structure Type MOL
InChI Key BFWPZGYTRQKHAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.92
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3OS2
MW 329.45
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.48

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00129A Unchecked 1

Data from ChEMBL 36 via Core Engine