Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL65391

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cccc(OC)c1Cn1cc[nH]c1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65391
Phase Preclinical
Structure Type MOL
InChI Key OSQMKHOZAZZBJP-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.61
ALogP
4
HBA
1
HBD
39.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2O2S
MW 250.32
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.68

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
7783140 10.1021/jm00012a008 Dopamine beta-hydroxylase 1
2296023 10.1021/jm00163a045 Dopamine beta-hydroxylase 1
9435905 10.1021/jm970488n Dopamine beta-hydroxylase 1
3820219 10.1021/jm00386a008 Dopamine beta-hydroxylase 1

Data from ChEMBL 36 via Core Engine