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Compound Detail

CHEMBL5183117

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C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nn2cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5183117
Phase Preclinical
Structure Type MOL
InChI Key JIODAXFGYPOPMQ-SNVBAGLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.09
ALogP
6
HBA
2
HBD
62.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16F2N4OS
MW 350.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
35313168 10.1016/j.ejmech.2022.114268 C-X-C chemokine receptor type 2 2
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