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Compound Detail

CHEMBL5630156

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Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C32CC2)n1

Basic Information

ChEMBL ID CHEMBL5630156
Phase Preclinical
Structure Type MOL
InChI Key RNTDTUQLXLGQHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.39
ALogP
7
HBA
0
HBD
76.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15FN6OS
MW 370.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuromedin-K receptor
CHEMBL4429
IC50 5.49 5.49 3269.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuromedin-K receptor IC50 = 3269.47 nM 5.49 Displacement of [3H]-SB-222200 from recombinant human NK3R expressed in CHO-K1 c... 37247507

Literature References

PubMed DOI Target Context # Activities
37247507 10.1016/j.ejmech.2023.115486 Neuromedin-K receptor 2

Data from ChEMBL 36 via Core Engine