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Compound Detail

CHEMBL3218762

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Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H](N)C(C)C)cc3s2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218762
Phase Preclinical
Structure Type MOL
InChI Key NPUKOQQBQFEFHA-FSRHSHDFSA-N
Parent Compound CHEMBL3304003
Active Moiety CHEMBL3304003
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
4.26
ALogP
6
HBA
3
HBD
97.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClN4O2S2
MW 465.04
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.98

Literature References

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

Data from ChEMBL 36 via Core Engine