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Compound Detail

CHEMBL4078615

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O=C(NCCCCc1ccc(CCCCNC(=O)c2cc(F)cc(C(F)(F)F)c2)s1)c1cc(F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4078615
Phase Preclinical
Structure Type MOL
InChI Key SROVRNUAFRGCET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

606.6
MW (Da)
7.57
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26F8N2O2S
MW 606.58
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.94

Literature References

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

Data from ChEMBL 36 via Core Engine