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Compound Detail

CHEMBL5571575

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COc1cccc(CNc2nc(=O)c3c([nH]2)CCN(Cc2ccccc2)C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571575
Phase Preclinical
Structure Type MOL
InChI Key YANDENOVWCIVMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
2.95
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O2
MW 376.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
38620134 10.1021/acs.jmedchem.4c00338 ATP-dependent Clp protease proteolytic subunit, mitochondrial 2
38620134 10.1021/acs.jmedchem.4c00338 MV4-11 1

Data from ChEMBL 36 via Core Engine