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Compound Detail

CHEMBL118532

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Cc1nc(C)n2c(S)ncnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL118532
Phase Preclinical
Structure Type MOL
InChI Key YVUURQQGHHCDCH-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
1.03
ALogP
5
HBA
1
HBD
43.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8N4S
MW 180.24
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.34

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
7658442 10.1021/jm00018a015 MDCK 3
7658442 10.1021/jm00018a015 HeLa 2
7658442 10.1021/jm00018a015 Vero 2
7658442 10.1021/jm00018a015 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine