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Compound Detail

CHEMBL350276

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CCCc1cc(Cl)c(O)c(C(=O)NC[C@@H]2CCCN2CC)c1OC

Basic Information

ChEMBL ID CHEMBL350276
Phase Preclinical
Structure Type MOL
InChI Key FYCDPJINLVBRPV-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.9
MW (Da)
3.22
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27ClN2O3
MW 354.88
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2093868
IC50 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dopamine receptor IC50 = 110.0 nM 6.96 Antidopamine activity in vitro by ability to displace [3H]spiperone from rat bra... 3941414

Literature References

PubMed DOI Target Context # Activities
3941414 10.1021/jm00151a010 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine