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Compound Detail

CHEMBL4513714

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CCOP(=O)(OCC)C1(c2ccccc2)N=CC2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4513714
Phase Preclinical
Structure Type MOL
InChI Key YIKCDOBPXAHKRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.3
MW (Da)
5.30
ALogP
6
HBA
0
HBD
85.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21Cl2N2O5P
MW 495.30
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.59

Literature References

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

Data from ChEMBL 36 via Core Engine