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Compound Detail

CHEMBL189611

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CNCCN(C(=O)Nc1ccc(F)c(Cl)c1)c1ccc(-c2cccc(C#N)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189611
Phase Preclinical
Structure Type MOL
InChI Key OSTMRUJPPBVRRB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
5.28
ALogP
3
HBA
2
HBD
68.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClFN4O
MW 422.89
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.82

Activity Summary

Ki 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
 Ki 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanin-concentrating hormone receptor 1 Ki = 6.0 nM 8.22 Inhibition of human melanin concentrating hormone receptor 1 16033253

Literature References

PubMed DOI Target Context # Activities
16033253 10.1021/jm0503852 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine