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Compound Detail

CHEMBL595720

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CN1CCc2cc(O)ccc2CCc2ccccc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595720
Phase Preclinical
Structure Type MOL
InChI Key MVWVAUAORDNVHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
3.17
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO
MW 267.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
19744859 10.1016/j.bmc.2009.08.028 D(1A) dopamine receptor 3
19744859 10.1016/j.bmc.2009.08.028 D(2) dopamine receptor 3
19744859 10.1016/j.bmc.2009.08.028 D(3) dopamine receptor 1
19744859 10.1016/j.bmc.2009.08.028 D(4) dopamine receptor 1
19744859 10.1016/j.bmc.2009.08.028 D(1B) dopamine receptor 1

Data from ChEMBL 36 via Core Engine