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Compound Detail

CHEMBL4436692

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COc1ccccc1Cc1cc(C)nn(CC(=O)Nc2cccc(C#N)c2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436692
Phase Preclinical
Structure Type MOL
InChI Key IXYHUKTYKQPWLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
2.66
ALogP
6
HBA
1
HBD
97.0
PSA (Ų)
0.70
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 C22H20N4O3
MW 388.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.95

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