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Compound Detail

CHEMBL515070

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CS(=O)(=O)c1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL515070
Phase Preclinical
Structure Type MOL
InChI Key ARKSLNIFOGBPCH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.0
MW (Da)
4.14
ALogP
8
HBA
0
HBD
81.0
PSA (Ų)
0.46
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 C20H16ClN5O2S2
MW 457.97
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
IC50 5.63 5.63 2344.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18975927 10.1021/jm800743q Corticotropin-releasing factor receptor 1 1

Data from ChEMBL 36 via Core Engine