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Compound Detail

CHEMBL1684575

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COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)N(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1684575
Phase Preclinical
Structure Type MOL
InChI Key QOMSQCBWUZPBGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
3.42
ALogP
7
HBA
0
HBD
76.9
PSA (Ų)
0.44
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 C27H34N4O4
MW 478.59
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
21353540 10.1016/j.bmcl.2010.12.081 Vasopressin V1b receptor 1

Data from ChEMBL 36 via Core Engine