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Compound Detail

CHEMBL184213

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Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C#N)cc3)cc12

Basic Information

ChEMBL ID CHEMBL184213
Phase Preclinical
Structure Type MOL
InChI Key BCWVRNLWRNDCCJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
3.18
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N5O2
MW 415.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.12

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 370.0 nM 6.43 Inhibitory activity against Melanin-concentrating hormone receptor 1 15225734

Literature References

PubMed DOI Target Context # Activities
15225734 10.1016/j.bmcl.2004.05.051 Unchecked 1

Data from ChEMBL 36 via Core Engine