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Compound Detail

CHEMBL4777482

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CC1CCCc2sc(NC(=S)Nc3ccccc3)c(C(N)=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777482
Phase Preclinical
Structure Type MOL
InChI Key XEWOCORPFIZSQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
4.10
ALogP
3
HBA
3
HBD
67.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3OS2
MW 345.49
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.53

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