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Compound Detail

CHEMBL4780039

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CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1C(C)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4780039
Phase Preclinical
Structure Type MOL
InChI Key FGIMIJPJPWNRJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
4.49
ALogP
5
HBA
2
HBD
67.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O3S2
MW 402.54
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.46

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