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Compound Detail

CHEMBL4085328

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O=C(NCCCc1ccc(-c2ccc(-c3cccs3)s2)s1)c1cc(F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085328
Phase Preclinical
Structure Type MOL
InChI Key PIFIBUQKCTYBJE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
7.73
ALogP
4
HBA
1
HBD
29.1
PSA (Ų)
0.21
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F4NOS3
MW 495.59
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
28246043 10.1016/j.ejmech.2017.02.040 Unchecked 1
28246043 10.1016/j.ejmech.2017.02.040 MDCK 1

Data from ChEMBL 36 via Core Engine