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Compound Detail

CHEMBL4080787

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Cc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4080787
Phase Preclinical
Structure Type MOL
InChI Key IXAXEXIXARPUQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
3.90
ALogP
4
HBA
0
HBD
42.4
PSA (Ų)
0.82
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 C15H14Cl2N2O2S
MW 357.26
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.26

Literature References

PubMed DOI Target Context # Activities
28635286 10.1021/acs.jmedchem.7b00385 5-hydroxytryptamine receptor 2C 1
28635286 10.1021/acs.jmedchem.7b00385 5-hydroxytryptamine receptor 2A 1
28635286 10.1021/acs.jmedchem.7b00385 5-hydroxytryptamine receptor 2B 1

Data from ChEMBL 36 via Core Engine