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Compound Detail

CHEMBL302104

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c1ccc(N2CCN(c3nc4ccsc4n4cccc34)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302104
Phase Preclinical
Structure Type MOL
InChI Key ZJCWWTLTVPRANX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.88
ALogP
5
HBA
0
HBD
23.8
PSA (Ų)
0.56
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 C19H18N4S
MW 334.45
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.71

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