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Compound Detail

CHEMBL393403

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O=C(c1ccc2[nH]ccc2c1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393403
Phase Preclinical
Structure Type MOL
InChI Key PBGBGFPUSVZTPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.9
MW (Da)
5.37
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.47
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 C26H24ClN3O
MW 429.95
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.26

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