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Compound Detail

CHEMBL4781241

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CC1CCCc2sc(NC(=S)Nc3ccc4c(c3)OC(F)(F)O4)c(C(=O)OC(C)(C)C)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4781241
Phase Preclinical
Structure Type MOL
InChI Key DPXMSSWXPCPMTC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
6.27
ALogP
6
HBA
2
HBD
68.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24F2N2O4S2
MW 482.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
32829163 10.1016/j.ejmech.2020.112387 C-X-C chemokine receptor type 2 1
32829163 10.1016/j.ejmech.2020.112387 C-X-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine