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Compound Detail

CHEMBL201288

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CCN1CCc2c([nH]c3ccccc23)Cc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201288
Phase Preclinical
Structure Type MOL
InChI Key GILRVKMKQIBKOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
4.14
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2
MW 290.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
16420061 10.1021/jm050846j D(1A) dopamine receptor 2
16420061 10.1021/jm050846j D(2) dopamine receptor 2
16420061 10.1021/jm050846j D(1B) dopamine receptor 2
16420061 10.1021/jm050846j D(4) dopamine receptor 1
16420061 10.1021/jm050846j D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine