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Compound Detail

CHEMBL4438959

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Cc1ccsc1-c1oc2cc(O)ccc2c(=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438959
Phase Preclinical
Structure Type MOL
InChI Key ZRWMYJKOBXTYNT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
3.24
ALogP
5
HBA
2
HBD
70.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10O4S
MW 274.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
31542713 10.1016/j.ejmech.2019.111676 786-0 1
31542713 10.1016/j.ejmech.2019.111676 A549 1
31542713 10.1016/j.ejmech.2019.111676 Voltage-gated inwardly rectifying potassium channel KCNH2 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 1A2 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 2C9 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 2C19 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 2D6 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 3A4 1
31542713 10.1016/j.ejmech.2019.111676 THP-1 1
31542713 10.1016/j.ejmech.2019.111676 Trypanosoma brucei 1

Data from ChEMBL 36 via Core Engine