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Compound Detail

CHEMBL565755

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CCOc1ccc2nc(N)sc2c1

Basic Information

ChEMBL ID CHEMBL565755
Phase Preclinical
Structure Type MOL
InChI Key KOYJWFGMEBETBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
12
Publications
0
Known Names

Molecular Properties

194.3
MW (Da)
2.28
ALogP
4
HBA
1
HBD
48.1
PSA (Ų)
0.80
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 C9H10N2OS
MW 194.26
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -2.21

Pharmacokinetic Data

Parameter Value Units Species
CL 12.02 uL.min-1.(10^6cells)-1 Homo sapiens
CL 19.95 mL.min-1.g-1 Homo sapiens
CL 74.13 uL.min-1.(10^6cells)-1 Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 ADMET 3
19502068 10.1016/j.bmc.2009.05.039 Radical scavenging activity 2
23750537 10.1021/jm4001488 5'-AMP-activated protein kinase catalytic subunit alpha-2 2
- 10.6019/CHEMBL3301361 No relevant target 2
23644218 10.1016/j.ejmech.2013.03.064 Escherichia coli 1
23644218 10.1016/j.ejmech.2013.03.064 Enterococcus faecalis 1
23644218 10.1016/j.ejmech.2013.03.064 Staphylococcus aureus 1
23644218 10.1016/j.ejmech.2013.03.064 Pichia kudriavzevii 1
23644218 10.1016/j.ejmech.2013.03.064 Candida tropicalis 1
23644218 10.1016/j.ejmech.2013.03.064 Candida parapsilosis 1
23644218 10.1016/j.ejmech.2013.03.064 Candida albicans 1
23750537 10.1021/jm4001488 Unchecked 1

Data from ChEMBL 36 via Core Engine