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Compound Detail

CHEMBL303406

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Cc1ccc(CN2CCN(C3(C)C(=O)N(C)c4ccccc43)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303406
Phase Preclinical
Structure Type MOL
InChI Key LUDCCCVLAYHLTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
3.00
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.85
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 C22H27N3O
MW 349.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.70

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