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Compound Detail

CHEMBL1519347

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O=C(Nc1ccccc1)OC1CCC2CC1CCC2OC(=O)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL1519347
Phase Preclinical
Structure Type MOL
InChI Key ZDOATINBKFYDSR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
5.43
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.72
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O4
MW 394.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.06

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL259
IC50 5.13 5.13 7464.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocortin receptor 4 IC50 = 7464.0 nM 5.13 PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... -

Data from ChEMBL 36 via Core Engine