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

CHEMBL63701

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
S=c1[nH]ccn1Cc1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63701
Phase Preclinical
Structure Type MOL
InChI Key VBXGFPDEUDCBNG-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

269.2
MW (Da)
3.36
ALogP
2
HBA
1
HBD
20.7
PSA (Ų)
0.83
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 C10H9BrN2S
MW 269.17
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.31

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
3820219 10.1021/jm00386a008 Dopamine beta-hydroxylase 4
3820219 10.1021/jm00386a008 Rattus norvegicus 3
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 No relevant target 1

Data from ChEMBL 36 via Core Engine