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Compound Detail

CHEMBL456273

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COc1ccccc1Cn1cc(C(=O)Nc2cc(Cl)ccc2O)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456273
Phase Preclinical
Structure Type MOL
InChI Key NQNLSTXGHLYODT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
2.95
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN4O3
MW 358.79
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
18400336 10.1016/j.ejmech.2008.02.032 Calcium-activated potassium channel subunit alpha-1 1

Data from ChEMBL 36 via Core Engine