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Compound Detail

CHEMBL3706602

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CS(=O)(=O)c1cccc(C2CCNC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3706602
Phase Preclinical
Structure Type MOL
InChI Key HGUNXXODCCBAQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
1.17
ALogP
3
HBA
1
HBD
46.2
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 C11H15NO2S
MW 225.31
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00618-X Rattus norvegicus 7
- 10.1016/S0960-894X(96)00618-X 5-hydroxytryptamine receptor 1A 1
- 10.1016/S0960-894X(96)00618-X Serotonin 2 (5-HT2) receptor 1
- 10.1016/S0960-894X(96)00618-X D(2) dopamine receptor 1
- 10.1016/S0960-894X(96)00618-X D(3) dopamine receptor 1
- 10.1016/S0960-894X(96)00618-X No relevant target 1

Data from ChEMBL 36 via Core Engine