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Compound Detail

CHEMBL514272

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Cc1cc(-n2ccc(-c3nccs3)n2)c2cnn(-c3ccc(C#N)cc3C)c2n1

Basic Information

ChEMBL ID CHEMBL514272
Phase Preclinical
Structure Type MOL
InChI Key MVAADJAUSSYNMW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
4.22
ALogP
8
HBA
0
HBD
85.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15N7S
MW 397.47
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -2.39

Activity Summary

IC50 1 meas. best 5.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Corticotropin-releasing factor receptor 1
CHEMBL1800
IC50 5.56 5.56 2754.2 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