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Compound Detail

CHEMBL4466511

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CSCCC(NC(=O)[C@H](CCCCN)NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4466511
Phase Preclinical
Structure Type MOL
InChI Key FAMQUFMOWFQNCQ-BJSSTWLPSA-N
Parent Compound CHEMBL4598213
Active Moiety CHEMBL4598213
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

599.7
MW (Da)
5.96
ALogP
8
HBA
3
HBD
129.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H39ClN3O6PS
MW 636.15
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
30571121 10.1021/acs.jmedchem.8b01466 ATP-dependent Clp protease proteolytic subunit 2

Data from ChEMBL 36 via Core Engine