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Compound Detail

CHEMBL323184

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O=C(NCC1c2ccccc2-c2ccccc21)C1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323184
Phase Preclinical
Structure Type MOL
InChI Key YALLSPQJAUWZEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
2.91
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.92
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 C20H22N2O
MW 306.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
11543687 10.1021/jm010146o D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine