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Compound Detail

CHEMBL365491

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NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CN)CCCCC2)CC1

Basic Information

ChEMBL ID CHEMBL365491
Phase Preclinical
Structure Type MOL
InChI Key BSIBTRDYFYLVNT-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
2.18
ALogP
5
HBA
3
HBD
104.7
PSA (Ų)
0.52
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 C23H35Cl2N5O2
MW 484.47
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.90

Activity Summary

Ki 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL259
Ki 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15950470 10.1016/j.bmcl.2005.05.017 Melanocortin receptor 4 2

Data from ChEMBL 36 via Core Engine