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Compound Detail

CHEMBL328441

2-THIOPHENENECARBOXALDEHYDE
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Basic Information

ChEMBL ID CHEMBL328441
Name 2-THIOPHENENECARBOXALDEHYDE
Phase Preclinical
Structure Type MOL
InChI Key CNUDBTRUORMMPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

112.2
MW (Da)
1.56
ALogP
2
HBA
0
HBD
17.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H4OS
MW 112.15
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -2.15

Literature References

PubMed DOI Target Context # Activities
22769561 10.1021/jf302075w Meloidogyne incognita 3
34531949 10.1021/acsmedchemlett.1c00193 Leishmania amazonensis 2
9873605 10.1016/s0960-894x(98)00468-5 Unchecked 1
17381079 10.1021/jm061425k Replicase polyprotein 1a 1
19747834 10.1016/j.bmc.2009.08.042 Glycogen synthase kinase-3 beta 1
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1
31097402 10.1016/j.bmc.2019.05.001 Sodium- and chloride-dependent GABA transporter 1 1
30376325 10.1021/acs.jmedchem.8b01602 Sodium- and chloride-dependent GABA transporter 1 1
34531949 10.1021/acsmedchemlett.1c00193 Peritoneal macrophage 1
34531949 10.1021/acsmedchemlett.1c00193 Leishmania infantum 1

Data from ChEMBL 36 via Core Engine