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Compound Detail

CHEMBL393216

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Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393216
Phase Preclinical
Structure Type MOL
InChI Key FLYIHTMXEVVEDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
5.20
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25ClN2O
MW 404.94
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
17723305 10.1016/j.bmc.2007.08.013 Enoyl-[acyl-carrier-protein] reductase [NADH] 2

Data from ChEMBL 36 via Core Engine