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Compound Detail

CHEMBL11360

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c1ccc(CSc2nc[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11360
Phase Preclinical
Structure Type MOL
InChI Key IQQYSQRJFHUASD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

191.3
MW (Da)
2.10
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9N3S
MW 191.26
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.96

Literature References

PubMed DOI Target Context # Activities
2155321 10.1021/jm00165a030 No relevant target 1
- 10.6019/CHEMBL2113921 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine