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Compound Detail

CHEMBL201142

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C=CCN1CCc2ccccc2Cc2ccsc2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201142
Phase Preclinical
Structure Type MOL
InChI Key ORWJOWKBZHUXMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
3.93
ALogP
2
HBA
0
HBD
3.2
PSA (Ų)
0.75
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 C18H21NS
MW 283.44
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
16420061 10.1021/jm050846j D(1A) dopamine receptor 2
16420061 10.1021/jm050846j D(2) dopamine receptor 2
16420061 10.1021/jm050846j D(1B) dopamine receptor 2
16420061 10.1021/jm050846j D(4) dopamine receptor 1
16420061 10.1021/jm050846j D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine