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Compound Detail

CHEMBL184950

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Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL184950
Phase Preclinical
Structure Type MOL
InChI Key VYLOHRFMNHSVKC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
4.58
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.53
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 C24H27F3N4O2
MW 460.50
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 22.0 nM 7.66 Inhibitory activity against Melanin-concentrating hormone receptor 1 15225734

Literature References

PubMed DOI Target Context # Activities
15225734 10.1016/j.bmcl.2004.05.051 Unchecked 1

Data from ChEMBL 36 via Core Engine