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Compound Detail

CHEMBL5435104

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COCCCCSc1nc(N[C@H](C)CO)c2nn[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5435104
Phase Preclinical
Structure Type MOL
InChI Key FWUNWLXXNJLOOZ-MRVPVSSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
1.06
ALogP
8
HBA
3
HBD
108.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N6O2S
MW 312.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.35

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