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Compound Detail

CHEMBL2111919

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CCCN(CCC)C(=O)/C=C1/c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2111919
Phase Preclinical
Structure Type MOL
InChI Key NXVPVFGSKVBDIO-JWGURIENSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.9
MW (Da)
5.54
ALogP
3
HBA
0
HBD
53.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24ClN3O2
MW 433.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
8863805 10.1021/jm960325j Translocator protein 1
34254805 10.1021/acs.jmedchem.1c00379 Translocator protein 1

Data from ChEMBL 36 via Core Engine