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Compound Detail

CHEMBL429293

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COc1cc(N2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL429293
Phase Preclinical
Structure Type MOL
InChI Key SUHIGGGFDFZBGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
4.81
ALogP
5
HBA
0
HBD
62.3
PSA (Ų)
0.44
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 C28H29N3O4
MW 471.56
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
17448659 10.1016/j.bmcl.2007.04.012 Melanin-concentrating hormone receptor 1 1

Data from ChEMBL 36 via Core Engine