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Compound Detail

CHEMBL65265

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Cc1ccc(Cn2cc[nH]c2=S)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65265
Phase Preclinical
Structure Type MOL
InChI Key RXOMFRZVVWAXBO-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

204.3
MW (Da)
2.90
ALogP
2
HBA
1
HBD
20.7
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 C11H12N2S
MW 204.30
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.30

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