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Compound Detail

CHEMBL11735

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COc1ccc(CCN2CCOCC2)cc1OCCc1ccccc1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11735
Phase Preclinical
Structure Type MOL
InChI Key UBLJGKOZBAGJOZ-UHFFFAOYSA-N
Parent Compound CHEMBL1178032
Active Moiety CHEMBL1178032
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.19
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO7
MW 431.49
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
10090790 10.1021/jm980212v Sigma non-opioid intracellular receptor 1 1
10090790 10.1021/jm980212v D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine