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Compound Detail

CHEMBL514717

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Cc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)S(=O)(=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514717
Phase Preclinical
Structure Type MOL
InChI Key AQBSWKMODLRFGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.5
MW (Da)
5.72
ALogP
7
HBA
0
HBD
81.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13F6N5O2S2
MW 545.49
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.73

Literature References

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

Data from ChEMBL 36 via Core Engine