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Compound Detail

CHEMBL3618325

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COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1

Basic Information

ChEMBL ID CHEMBL3618325
Phase Preclinical
Structure Type MOL
InChI Key RROGKYWCMQVOCW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.9
MW (Da)
3.68
ALogP
8
HBA
0
HBD
73.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24ClN5O3
MW 465.94
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.50

Activity Summary

Ki 2 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL1075228
Ki 9.3 9.3 0.5 1
Melanin-concentrating hormone receptor 1
CHEMBL344
Ki 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26386604 10.1016/j.bmcl.2015.09.018 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine