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Compound Detail

CHEMBL3218763

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Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H](N)c4ccccc4)cc3s2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218763
Phase Preclinical
Structure Type MOL
InChI Key CCRNDOHRQWPRNO-VZYDHVRKSA-N
Parent Compound CHEMBL3302257
Active Moiety CHEMBL3302257
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
4.97
ALogP
6
HBA
3
HBD
97.1
PSA (Ų)
0.34
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 C24H23ClN4O2S2
MW 499.06
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.88

Literature References

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

Data from ChEMBL 36 via Core Engine