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Compound Detail

CHEMBL67429

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CN1C(=O)C(C)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL67429
Phase Preclinical
Structure Type MOL
InChI Key KRYKJSKXDBEMED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.9
MW (Da)
3.35
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.83
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 C21H24ClN3O
MW 369.90
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
10999484 10.1016/s0960-894x(00)00421-2 D(2) dopamine receptor 1
10999484 10.1016/s0960-894x(00)00421-2 D(4) dopamine receptor 1
10999484 10.1016/s0960-894x(00)00421-2 Alpha adrenergic receptor 1A and 1B 1

Data from ChEMBL 36 via Core Engine