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Compound Detail

CHEMBL2074592

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O=S(=O)(O)c1cc(N=C=S)ccc1/C=C/c1ccc(NC=S)cc1S(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2074592
Phase Preclinical
Structure Type MOL
InChI Key NXIVUMHWIDLIPT-OWOJBTEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
3.45
ALogP
7
HBA
3
HBD
133.1
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O6S4
MW 456.55
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
9632674 10.1074/jbc.273.26.16184 Solute carrier organic anion transporter family member 1A1 2
8045503 10.1016/0270-9139(94)90194-5 Solute carrier organic anion transporter family member 1A1 1
10644574 10.1152/ajpgi.2000.278.1.g156 Solute carrier organic anion transporter family member 1B1 1
12724351 10.1124/jpet.103.051300 Solute carrier organic anion transporter family member 2B1 1
11101640 10.1111/j.1469-7793.2000.00285.x Monocarboxylate transporter 4 1
10224140 10.1074/jbc.274.19.13675 Organic anion transporter 3 1
11093941 10.1152/ajpgi.2000.279.6.g1188 Solute carrier organic anion transporter family member 1A5 1

Data from ChEMBL 36 via Core Engine