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Compound Detail

CHEMBL202762

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COc1ccc2oc(N3CCN(CCCCNC(=O)c4cc5cccc(OC)c5o4)CC3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202762
Phase Preclinical
Structure Type MOL
InChI Key NFJLPYMTHHPACY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
3.92
ALogP
8
HBA
1
HBD
93.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N4O5
MW 478.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
16392820 10.1021/jm050734s D(3) dopamine receptor 1
16392820 10.1021/jm050734s D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine