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Compound Detail

CHEMBL221310

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CSc1ccccc1NC(=N)NC(=N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221310
Phase Preclinical
Structure Type MOL
InChI Key RGVSKKLRICJSNS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
1.24
ALogP
3
HBA
5
HBD
97.8
PSA (Ų)
0.30
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13N5S
MW 223.31
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
16982193 10.1016/j.bmcl.2006.08.061 Integrin alpha-V/beta-3 1

Data from ChEMBL 36 via Core Engine