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Compound Detail

CHEMBL216190

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COc1ccc2c(=O)cc(C(=O)NCCC3CCCN3Cc3ccc4c(c3)OCO4)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216190
Phase Preclinical
Structure Type MOL
InChI Key LTRQPJOPPZBLHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
3.31
ALogP
7
HBA
1
HBD
90.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N2O6
MW 450.49
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.74

Literature References

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

Data from ChEMBL 36 via Core Engine