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Compound Detail

CHEMBL317647

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C=CCN1Cc2ccccc2[C@@H]2c3cc(O)c(O)cc3CC[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL317647
Phase Preclinical
Structure Type MOL
InChI Key CHSUQZGEQRDJHM-YLJYHZDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.55
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO2
MW 307.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
8568818 10.1021/jm9502100 D(1A) dopamine receptor 2
8568818 10.1021/jm9502100 D(2) dopamine receptor 1
8568818 10.1021/jm9502100 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine