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Compound Detail

CHEMBL3752882

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CCOC(=O)N1CCc2ccccc2Cc2sccc2CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752882
Phase Preclinical
Structure Type MOL
InChI Key QXENIDYJYZUXDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.90
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO2S
MW 315.44
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00258C D(4) dopamine receptor 1
- 10.1039/C5MD00258C D(1A) dopamine receptor 1
- 10.1039/C5MD00258C D(2) dopamine receptor 1
- 10.1039/C5MD00258C D(3) dopamine receptor 1
- 10.1039/C5MD00258C D(1B) dopamine receptor 1

Data from ChEMBL 36 via Core Engine