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Compound Detail

CHEMBL5201451

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C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5201451
Phase Preclinical
Structure Type MOL
InChI Key IDBRSRMTGUWZFL-LLVKDONJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.99
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17F2N3OS
MW 361.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.66

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