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Compound Detail

CHEMBL5441001

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C[C@H](CO)Nc1nc(Sc2ccccc2)nc2[nH]nnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5441001
Phase Preclinical
Structure Type MOL
InChI Key XWUUHMBOTPKDPE-MRVPVSSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
1.69
ALogP
7
HBA
3
HBD
99.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N6OS
MW 302.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.30

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