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Compound Detail

CHEMBL388234

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Cc1ccc(C2CCN(CCCNC(=O)C(c3ccccc3)c3ccccc3)CC2)cc1NC(=O)C(C)C

Basic Information

ChEMBL ID CHEMBL388234
Phase Preclinical
Structure Type MOL
InChI Key GMRMXYCDJXDFFA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.7
MW (Da)
6.11
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.32
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 C33H41N3O2
MW 511.71
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.06

Activity Summary

Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL1075228
Ki 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17668921 10.1021/jm060381c Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine