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Compound Detail

CHEMBL375120

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[O-][n+]1ccccc1C1CCN(Cc2nc3ccccc3[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL375120
Phase Preclinical
Structure Type MOL
InChI Key ZVQFIPZZZFFFAW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.58
ALogP
3
HBA
1
HBD
58.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O
MW 308.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.40

Activity Summary

EC50 1 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(4) dopamine receptor
CHEMBL219
EC50 7.27 7.27 54.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17149874 10.1021/jm060662k D(4) dopamine receptor 3

Data from ChEMBL 36 via Core Engine