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Compound Detail

CHEMBL360876

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CN(C)c1nc(NC2CCN(Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL360876
Phase Preclinical
Structure Type MOL
InChI Key FFRCQBGVCKTCAM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

524.4
MW (Da)
5.43
ALogP
6
HBA
1
HBD
53.5
PSA (Ų)
0.46
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25BrF3N5O
MW 524.39
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.50

Activity Summary

IC50 2 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 6.5 6.5 320.0 1
Alpha-2A adrenergic receptor
CHEMBL1867
IC50 6.28 6.28 520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16002290 10.1016/j.bmcl.2005.05.121 Melanin-concentrating hormone receptor 1 1
16002290 10.1016/j.bmcl.2005.05.121 Neuropeptide Y receptor type 5 1
16002290 10.1016/j.bmcl.2005.05.121 Alpha-2A adrenergic receptor 1

Data from ChEMBL 36 via Core Engine