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Compound Detail

CHEMBL336107

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NCCCNc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL336107
Phase Preclinical
Structure Type MOL
InChI Key TYIJSCGOLIKHQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

184.7
MW (Da)
2.10
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13ClN2
MW 184.67
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
8831767 10.1021/jm9603936 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine