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Compound Detail

CHEMBL5426026

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CCCNC(=O)CSc1nc(N[C@H](C)CO)c2nn[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5426026
Phase Preclinical
Structure Type MOL
InChI Key DQEAWWSJAAZUCT-SSDOTTSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
0.16
ALogP
8
HBA
4
HBD
128.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N7O2S
MW 325.40
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.83

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