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Compound Detail

CHEMBL196567

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CC(=O)OCCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1

Basic Information

ChEMBL ID CHEMBL196567
Phase Preclinical
Structure Type MOL
InChI Key DTUSYZOXNYGOKX-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.4
MW (Da)
4.87
ALogP
6
HBA
1
HBD
80.8
PSA (Ų)
0.47
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 C23H23Cl2N3O4
MW 476.36
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.60

Activity Summary

IC50 3 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 8.64 8.01 2.3 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16134937 10.1021/jm050103y Melanin-concentrating hormone receptor 1 3
16134937 10.1021/jm050103y Melanin-concentrating hormone receptor 2 1

Data from ChEMBL 36 via Core Engine