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Compound Detail

CHEMBL397064

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O=C1N/C(=C\c2ccc(CNC3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL397064
Phase Preclinical
Structure Type MOL
InChI Key ZCHRZUMAMPGDFF-ITYLOYPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
5.61
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N3O3
MW 453.54
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.86

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