Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL543569

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cl.O=C(CCCN1CCC(N(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543569
Phase Preclinical
Structure Type MOL
InChI Key KHBPQIMDXSYNGV-UHFFFAOYSA-N
Parent Compound CHEMBL1192346
Active Moiety CHEMBL1192346
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
6.37
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28ClF3N2O
MW 488.98
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2093868
 IC50 7.17 7.17 68.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dopamine receptor IC50 = 68.0 nM 7.17 Inhibition of [3H]spiroperidol (0.5 nM) binding to dopamine receptor from rat st... 3941416

Literature References

PubMed DOI Target Context # Activities
3941416 10.1021/jm00151a002 Rattus norvegicus 3
3941416 10.1021/jm00151a002 Dopamine receptor 1

Data from ChEMBL 36 via Core Engine