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Compound Detail

CHEMBL5414164

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CN(C)c1nc(SCc2cccc(F)c2F)nc2[nH]nnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5414164
Phase Preclinical
Structure Type MOL
InChI Key WISRJKXFKSKMBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
2.38
ALogP
6
HBA
1
HBD
70.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12F2N6S
MW 322.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.11

Literature References

PubMed DOI Target Context # Activities
36924670 10.1016/j.ejmech.2023.115240 C-X-C chemokine receptor type 2 1
36924670 10.1016/j.ejmech.2023.115240 C-C chemokine receptor type 7 1

Data from ChEMBL 36 via Core Engine