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Compound Detail

CHEMBL4442639

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NCCOc1ccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442639
Phase Preclinical
Structure Type MOL
InChI Key ZEYNJEHZAXHTJN-UHFFFAOYSA-N
Parent Compound CHEMBL4597002
Active Moiety CHEMBL4597002
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.5
MW (Da)
6.30
ALogP
7
HBA
2
HBD
109.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H30F3N2O8P
MW 646.56
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.25

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