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Compound Detail

CHEMBL290266

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Cc1nccn1Cc1nc(-c2c[nH]c3ccccc23)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL290266
Phase Preclinical
Structure Type MOL
InChI Key FBOSKNMUTXENHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.84
ALogP
4
HBA
1
HBD
46.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4S
MW 294.38
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
2296012 10.1021/jm00163a003 Rattus norvegicus 2
2145434 10.1021/jm00172a007 5-hydroxytryptamine receptor 3B 1
2296012 10.1021/jm00163a003 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine