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Compound Detail

CHEMBL197283

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Cc1ccc(CN2CCC(Nc3[nH]nc4ccc(Cl)cc34)CC2)cc1C

Basic Information

ChEMBL ID CHEMBL197283
Phase Preclinical
Structure Type MOL
InChI Key QECDJUCOUBGHIU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.9
MW (Da)
4.91
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClN4
MW 368.91
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.67

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 7.0 6.43 100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16203136 10.1016/j.bmcl.2005.08.049 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine