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Compound Detail

CHEMBL196388

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CC(C)CNCCn1ncc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21

Basic Information

ChEMBL ID CHEMBL196388
Phase Preclinical
Structure Type MOL
InChI Key SXUROQLTGFUQFZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
5.72
ALogP
5
HBA
3
HBD
80.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N5O2
MW 443.55
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.52

Activity Summary

IC50 2 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL4730
IC50 8.74 8.74 1.8 1
Melanin-concentrating hormone receptor
CHEMBL2111437
IC50 6.12 6.12 751.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15911251 10.1016/j.bmcl.2005.03.114 Melanin-concentrating hormone receptor 1 1
15911251 10.1016/j.bmcl.2005.03.114 Melanin-concentrating hormone receptor 1

Data from ChEMBL 36 via Core Engine