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Compound Detail

CHEMBL195435

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COc1ccc(NCC2CCCCC2)c(C(=O)NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c1

Basic Information

ChEMBL ID CHEMBL195435
Phase Preclinical
Structure Type MOL
InChI Key FACXCSYTDSUMIQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
4.81
ALogP
6
HBA
2
HBD
72.1
PSA (Ų)
0.57
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 C28H37N3O4
MW 479.62
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.05

Activity Summary

IC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 7.3 6.635 50.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16085414 10.1016/j.bmcl.2005.06.089 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine