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Compound Detail

CHEMBL1699592

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CC(C)Cc1ccc(C(C)CC2=CCC(CN(C)C)C2=O)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1699592
Phase Preclinical
Structure Type MOL
InChI Key XPGPBGPRPPCIOM-UHFFFAOYSA-N
Parent Compound CHEMBL1739768
Active Moiety CHEMBL1739768
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.5
MW (Da)
4.46
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.74
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 C21H32ClNO
MW 349.95
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.20

Activity Summary

IC50 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL259
 IC50 5.06 5.06 8776.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocortin receptor 4 IC50 = 8776.0 nM 5.06 PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... -

Data from ChEMBL 36 via Core Engine