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Compound Detail

CHEMBL1097927

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NC(=S)N/N=C/c1cnc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1097927
Phase Preclinical
Structure Type MOL
InChI Key YTHPMYHUKHWFRG-AWNIVKPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
0.80
ALogP
4
HBA
2
HBD
76.2
PSA (Ų)
0.45
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 C10H9N5S
MW 231.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.97

Literature References

PubMed DOI Target Context # Activities
20353152 10.1021/jm9014394 HT-29 1
20353152 10.1021/jm9014394 HeLa 1
20353152 10.1021/jm9014394 SGC-7901 1
20353152 10.1021/jm9014394 HL-60 1

Data from ChEMBL 36 via Core Engine