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Compound Detail

CHEMBL1427945

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Cc1ccc(CNC(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1427945
Phase Preclinical
Structure Type MOL
InChI Key NKGLOIJKAQUZPF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
1.58
ALogP
7
HBA
1
HBD
116.4
PSA (Ų)
0.46
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 C17H20N4O5
MW 360.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.22

Activity Summary

IC50 1 meas. best 4.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL259
 IC50 4.84 4.84 14404.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocortin receptor 4 IC50 = 14404.0 nM 4.84 PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... -

Data from ChEMBL 36 via Core Engine