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Compound Detail

CHEMBL379450

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c1ccc(CCN2CCc3ccccc3Cc3[nH]c4ccccc4c3CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379450
Phase Preclinical
Structure Type MOL
InChI Key OWJLZZGIONWNSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
5.40
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N2
MW 380.54
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.40

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