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Compound Detail

CHEMBL106067

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C[C@@H]1CN(CC(=O)N2CCc3ccccc32)CCN1Cc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106067
Phase Preclinical
Structure Type MOL
InChI Key QQBINOQKHPXQEW-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.9
MW (Da)
3.44
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN3O
MW 383.92
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
12372512 10.1016/s0960-894x(02)00655-8 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine