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Compound Detail

CHEMBL4440608

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COc1cccc(Cc2cc(C)nn(C(C)C(=O)Nc3cccc(Cl)c3)c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440608
Phase Preclinical
Structure Type MOL
InChI Key ZCRABDQHSAXRII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
4.00
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN3O3
MW 411.89
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
31038950 10.1021/acs.jmedchem.8b01912 fMet-Leu-Phe receptor 2
31038950 10.1021/acs.jmedchem.8b01912 N-formyl peptide receptor 2 2

Data from ChEMBL 36 via Core Engine