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Compound Detail

CHEMBL132930

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CCCN(CCC)[C@@H]1CCc2c(ccc(CCc3ccccc3)c2OC)C1

Basic Information

ChEMBL ID CHEMBL132930
Phase Preclinical
Structure Type MOL
InChI Key YFMHFOQRZFIVPU-HSZRJFAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.6
MW (Da)
5.46
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.58
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H35NO
MW 365.56
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.14

Activity Summary

Ki 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(3) dopamine receptor
CHEMBL234
Ki 7.7 7.7 19.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(3) dopamine receptor Ki = 19.95 nM 7.7 Binding affinity against human Dopamine receptor D3 in Chinese hamster ovary cel... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00043-1 D(3) dopamine receptor 1
- 10.1016/0960-894X(96)00043-1 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine