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Compound Detail

CHEMBL4756217

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COc1ccc([C@@H]2NC(=O)[C@H]2NC(=O)Nc2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4756217
Phase Preclinical
Structure Type MOL
InChI Key SJZWCXMFFFEJAL-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.8
MW (Da)
2.71
ALogP
3
HBA
3
HBD
79.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3O3
MW 345.79
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
32407089 10.1021/acs.jmedchem.9b02101 N-formyl peptide receptor 2 1
32407089 10.1021/acs.jmedchem.9b02101 fMet-Leu-Phe receptor 1

Data from ChEMBL 36 via Core Engine