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Compound Detail

CHEMBL184609

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CCC(c1ccccc1)N1CCC(Oc2cccc3ccc(N)nc23)C1

Basic Information

ChEMBL ID CHEMBL184609
Phase Preclinical
Structure Type MOL
InChI Key UBLUGNHBXHKVSI-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
4.42
ALogP
4
HBA
1
HBD
51.4
PSA (Ų)
0.74
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 C22H25N3O
MW 347.46
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.56

Activity Summary

IC50 2 meas. best 7.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 7.69 7.17 20.5 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341944 10.1016/j.bmcl.2004.07.035 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine