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Compound Detail

CHEMBL458169

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Cc1cc(-n2ccc(-c3nccs3)n2)c2nc(C(F)(F)F)n(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458169
Phase Preclinical
Structure Type MOL
InChI Key ZZMMAXVKOMGZPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

562.4
MW (Da)
7.09
ALogP
7
HBA
0
HBD
61.4
PSA (Ų)
0.22
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 C22H11F9N6S
MW 562.42
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.61

Literature References

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

Data from ChEMBL 36 via Core Engine