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Compound Detail

CHEMBL451197

OXIDOPAMINE HYDROCHLORIDE
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Cl.NCCc1cc(O)c(O)cc1O

Basic Information

ChEMBL ID CHEMBL451197
Name OXIDOPAMINE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key QLMRJHFAGVFUAC-UHFFFAOYSA-N
Parent Compound CHEMBL337702
Active Moiety CHEMBL337702
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

169.2
MW (Da)
0.30
ALogP
4
HBA
4
HBD
86.7
PSA (Ų)
0.38
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 C8H12ClNO3
MW 205.64
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 1.31

Activity Summary

IC50 1 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein argonaute-2
CHEMBL4680043
IC50 5.79 5.79 1610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein argonaute-2 IC50 = 1610.0 nM 5.79 Inhibition of AGO2 (unknown origin) 31931338

Literature References

PubMed DOI Target Context # Activities
- 10.1021/np50013a017 Phaseolus vulgaris 2
30852084 10.1016/j.bmcl.2019.02.028 GroEL/GroES 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
31931338 10.1016/j.ejmech.2019.112008 Protein argonaute-2 1

Data from ChEMBL 36 via Core Engine