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Compound Detail

CHEMBL40647

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C/N=C(\NC)Nc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40647
Phase Preclinical
Structure Type MOL
InChI Key QXMDECHLFJHTCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.7
MW (Da)
1.96
ALogP
1
HBA
2
HBD
36.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12ClN3
MW 197.67
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
11412989 10.1016/s0960-894x(01)00291-8 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine