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Compound Detail

CHEMBL362768

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O=C(NCCCOc1cccc2ccc(NCc3ccc(-c4ccccc4Cl)o3)nc12)c1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL362768
Phase Preclinical
Structure Type MOL
InChI Key LABXCLZSSDAEEV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

546.5
MW (Da)
7.61
ALogP
5
HBA
2
HBD
76.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H25Cl2N3O3
MW 546.45
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.50

Activity Summary

IC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 9.0 8.35 1.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341943 10.1016/j.bmcl.2004.07.034 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine