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Compound Detail

CHEMBL36313

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OCc1ccc(N2CCN(CCC(O)c3ccc(Cl)cc3)CC2)cc1Cl

Basic Information

ChEMBL ID CHEMBL36313
Phase Preclinical
Structure Type MOL
InChI Key FGFRLXWGWWTFDG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
3.73
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24Cl2N2O2
MW 395.33
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.03

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(4) dopamine receptor
CHEMBL219
Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9873377 10.1016/s0960-894x(98)00252-2 D(4) dopamine receptor 1

Data from ChEMBL 36 via Core Engine