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Compound Detail

CHEMBL594799

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CCc1cc(OC)ccc1C1Cc2ccccc2CN1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594799
Phase Preclinical
Structure Type MOL
InChI Key KTAAQEHLGMUIRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
3.99
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.84
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 C19H23NO
MW 281.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.10

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