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Compound Detail

CHEMBL65212

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C1=CCN(c2nc3ccsc3n3cccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65212
Phase Preclinical
Structure Type MOL
InChI Key VZWGNPPCNCQGBZ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
3.32
ALogP
4
HBA
0
HBD
20.5
PSA (Ų)
0.62
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 C14H13N3S
MW 255.35
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.28

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
8642566 10.1021/jm950543x 5-hydroxytryptamine receptor 1A 1
8642566 10.1021/jm950543x 5-hydroxytryptamine receptor 1B 1
8642566 10.1021/jm950543x 5-hydroxytryptamine receptor 1D 1
8642566 10.1021/jm950543x 5-hydroxytryptamine receptor 2A 1
8642566 10.1021/jm950543x 5-hydroxytryptamine receptor 2C 1
8642566 10.1021/jm950543x Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine