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Compound Detail

CHEMBL324085

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Cc1ccc(C2=CCC[C@@H](CN3CC=C(c4ccccc4)CC3)C2)cc1

Basic Information

ChEMBL ID CHEMBL324085
Phase Preclinical
Structure Type MOL
InChI Key FORCDIAATKJODX-OAQYLSRUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.5
MW (Da)
5.97
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.66
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 C25H29N
MW 343.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.19

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
IC50 6.48 6.48 328.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor IC50 = 328.0 nM 6.48 In vitro inhibition of [3H]spiperone binding to Dopamine D2 receptor in rat stri... 7932581

Literature References

PubMed DOI Target Context # Activities
7932581 10.1021/jm00047a010 Rattus norvegicus 2
7932581 10.1021/jm00047a010 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine