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Compound Detail

CHEMBL24895

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Clc1cccc(N2CCN(c3nc4ccccc4s3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24895
Phase Preclinical
Structure Type MOL
InChI Key VCQUFCMLNACVLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

329.9
MW (Da)
4.28
ALogP
4
HBA
0
HBD
19.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3S
MW 329.86
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.35

Literature References

PubMed DOI Target Context # Activities
8176710 10.1021/jm00035a012 Cavia porcellus 1
8176710 10.1021/jm00035a012 Serotonin 3 (5-HT3) receptor 1
8176710 10.1021/jm00035a012 Serotonin 1 (5-HT1) receptor 1
8176710 10.1021/jm00035a012 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine