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Compound Detail

CHEMBL68190

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Cc1ccc(CN2CCN(C3C(=O)Nc4ccccc43)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68190
Phase Preclinical
Structure Type MOL
InChI Key ZMGATMJPVZPSCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
2.81
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.94
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 C20H23N3O
MW 321.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.85

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