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Compound Detail

CHEMBL2297587

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COc1ccc(/C(C)=N\NC(N)=S)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2297587
Phase Preclinical
Structure Type MOL
InChI Key IQLBAZRLMZKISH-QPEQYQDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
1.26
ALogP
4
HBA
2
HBD
68.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15N3O2S
MW 253.33
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0208-6 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine