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Compound Detail

CHEMBL417570

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O=C(c1ccc(F)cc1)N1CCN(c2nc3ccsc3n3cccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417570
Phase Preclinical
Structure Type MOL
InChI Key UJBVSJAOMNPPER-UHFFFAOYSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
3.65
ALogP
5
HBA
0
HBD
40.9
PSA (Ų)
0.53
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 C20H17FN4OS
MW 380.45
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.05

Activity Summary

IC50 5 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