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Compound Detail

CHEMBL155351

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CCN1CCc2c(Br)ccc(O)c2C1Cc1cc(OC)ccc1Br

Basic Information

ChEMBL ID CHEMBL155351
Phase Preclinical
Structure Type MOL
InChI Key OIDAOTIYTAARMN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.2
MW (Da)
5.09
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.70
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21Br2NO2
MW 455.19
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.23

Activity Summary

Ki 1 meas. best 5.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL265
Ki 5.81 5.81 1548.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10691686 10.1021/jm991034o D(1A) dopamine receptor 1
10691686 10.1021/jm991034o D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine