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Compound Detail

CHEMBL1170143

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COc1cc(/C=N/Nc2nc3ccccc3s2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1170143
Phase Preclinical
Structure Type MOL
InChI Key DAUUWQJFFMJEJH-RQZCQDPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.47
ALogP
7
HBA
2
HBD
76.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O3S
MW 329.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
20403645 10.1016/j.ejmech.2010.03.031 NON-PROTEIN TARGET 5
24924425 10.1016/j.bmc.2014.05.034 No relevant target 4
24924425 10.1016/j.bmc.2014.05.034 NON-PROTEIN TARGET 2
20403645 10.1016/j.ejmech.2010.03.031 ADMET 1

Data from ChEMBL 36 via Core Engine