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Compound Detail

CHEMBL250526

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COc1ccc2nc(N[C@H]3CC[C@H](NCc4ccsc4)C3)cc(C)c2c1

Basic Information

ChEMBL ID CHEMBL250526
Phase Preclinical
Structure Type MOL
InChI Key UZSFFJFBSMDPNT-IRXDYDNUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
4.74
ALogP
5
HBA
2
HBD
46.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3OS
MW 367.52
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.43

Activity Summary

IC50 1 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 7.21 7.21 62.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17532215 10.1016/j.bmcl.2007.05.034 Melanin-concentrating hormone receptor 1 1

Data from ChEMBL 36 via Core Engine