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Compound Detail

CHEMBL335049

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CCCCCCN(CCCCCC)C(=O)CC1c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335049
Phase Preclinical
Structure Type MOL
InChI Key POIQBWGVCOTCCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

520.1
MW (Da)
7.97
ALogP
3
HBA
0
HBD
53.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H38ClN3O2
MW 520.12
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
8863805 10.1021/jm960325j Translocator protein 1
8863805 10.1021/jm960325j GABA-A receptor; anion channel 1
34254805 10.1021/acs.jmedchem.1c00379 Unchecked 1
34254805 10.1021/acs.jmedchem.1c00379 Translocator protein 1

Data from ChEMBL 36 via Core Engine