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Compound Detail

CHEMBL367359

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CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3ccccc3F)CC2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL367359
Phase Preclinical
Structure Type MOL
InChI Key AGEXNHZEGLFEDD-IYBDPMFKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
3.99
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.67
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 C23H26FN5O
MW 407.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 6.77 6.77 170.0 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