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Compound Detail

CHEMBL1830741

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CCCCCCN(CCCCCC)C(=O)c1cc(-c2ccc(Cl)cc2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830741
Phase Preclinical
Structure Type MOL
InChI Key MEOORIBELGWHJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.0
MW (Da)
6.60
ALogP
3
HBA
0
HBD
46.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31ClN2O2
MW 390.96
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
21824692 10.1016/j.ejmech.2011.07.025 Translocator protein 1

Data from ChEMBL 36 via Core Engine