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Compound Detail

CHEMBL27054

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Oc1ccccc1N1CCN(c2nc3ccccc3s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL27054
Phase Preclinical
Structure Type MOL
InChI Key JYHRLECLGKOLSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.33
ALogP
5
HBA
1
HBD
39.6
PSA (Ų)
0.79
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 C17H17N3OS
MW 311.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
8176710 10.1021/jm00035a012 Rattus norvegicus 2
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