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Compound Detail

CHEMBL216456

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COc1ccc2c(=O)cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216456
Phase Preclinical
Structure Type MOL
InChI Key ATDMRQKRWZFBKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
2.49
ALogP
7
HBA
0
HBD
81.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O6
MW 422.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
17064075 10.1021/jm060683e Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine