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Compound Detail

CHEMBL1203868

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Cl.Cl.OCC(CO)N1CCN(C2CC(c3ccc(F)cc3)c3ccc(F)cc32)CC1

Basic Information

ChEMBL ID CHEMBL1203868
Phase Preclinical
Structure Type MOL
InChI Key ISFWGLVONJLQOU-UHFFFAOYSA-N
Parent Compound CHEMBL367663
Active Moiety CHEMBL367663
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
2.51
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28Cl2F2N2O2
MW 461.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.26

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2093868
IC50 7.19 7.19 64.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dopamine receptor IC50 = 64.0 nM 7.19 Ability to displace [3H]haloperidol from rat striatal membranes, in order to mea... 6134833

Literature References

PubMed DOI Target Context # Activities
6134833 10.1021/jm00361a002 Rattus norvegicus 4
6134833 10.1021/jm00361a002 Mus musculus 2
6134833 10.1021/jm00361a002 Dopamine receptor 2

Data from ChEMBL 36 via Core Engine