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Compound Detail

CHEMBL1480448

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Cc1ccc(N2C(=O)C3C4C=CC(CN=C(S)Nc5ccc(Cl)cc5)(O4)C3C2=O)cc1

Basic Information

ChEMBL ID CHEMBL1480448
Phase Preclinical
Structure Type MOL
InChI Key WZOZJSHHCQGURG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.9
MW (Da)
3.86
ALogP
4
HBA
2
HBD
71.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClN3O3S
MW 453.95
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.78

Activity Summary

IC50 2 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 4.72 4.72 18854.0 1
Neuropeptides B/W receptor type 1
CHEMBL1293293
IC50 4.37 4.37 42805.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine