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Compound Detail

CHEMBL2367770

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CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2367770
Phase Preclinical
Structure Type BOTH
InChI Key CGZRMVPGIUYLRR-VJANTYMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

612.7
MW (Da)
-1.53
ALogP
10
HBA
8
HBD
229.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N6O8S2
MW 612.73
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 1.09

Literature References

PubMed DOI Target Context # Activities
22780881 10.1021/jm300655h Unchecked 2

Data from ChEMBL 36 via Core Engine