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Compound Detail

CHEMBL4787491

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CNC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1C(C)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4787491
Phase Preclinical
Structure Type MOL
InChI Key ZDGOATQEDQKXLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
4.36
ALogP
3
HBA
3
HBD
53.2
PSA (Ų)
0.71
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 C18H21N3OS2
MW 359.52
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.51

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