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Compound Detail

CHEMBL4443672

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CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3cccc(Cl)c3)C(=O)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4443672
Phase Preclinical
Structure Type MOL
InChI Key XCOHYLYMIBRPLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.9
MW (Da)
4.65
ALogP
6
HBA
0
HBD
85.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN2O5P
MW 460.85
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
32150414 10.1021/acs.jmedchem.9b02080 Unchecked 1

Data from ChEMBL 36 via Core Engine