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Compound Detail

CHEMBL1363033

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O=C1N=C(Nc2ccccc2)S/C1=C\c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1363033
Phase Preclinical
Structure Type MOL
InChI Key AXMGOWZVQOLCDR-KAMYIIQDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.77
ALogP
3
HBA
1
HBD
41.5
PSA (Ų)
0.85
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 C16H12N2OS
MW 280.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
21341744 10.1021/jm101165z Polyunsaturated fatty acid 5-lipoxygenase 6
- 10.6019/CHEMBL2113921 Plasmodium falciparum 3

Data from ChEMBL 36 via Core Engine