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Compound Detail

CHEMBL303598

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CC(=O)NCCc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303598
Phase Preclinical
Structure Type MOL
InChI Key WUALHNRHDHIVKF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.7
MW (Da)
2.02
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12ClNO
MW 197.66
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
7783136 10.1021/jm00012a004 Melatonin receptor 1

Data from ChEMBL 36 via Core Engine