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Compound Detail

CHEMBL13239

DL-PENICILLAMINE
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CC(C)(S)C(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL13239
Name DL-PENICILLAMINE
Phase Preclinical
Structure Type MOL
InChI Key VVNCNSJFMMFHPL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

149.2
MW (Da)
0.11
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H11NO2S
MW 149.21
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 1.17

Activity Summary

IC50 2 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.98 5.98 1050.0 1
No relevant target
CHEMBL2362975
 IC50 5.47 5.47 3400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 1050.0 nM 5.98 Antioxidant activity assessed as peroxynitrite scavenging activity by fluorescen... 17067150
No relevant target IC50 = 3400.0 nM 5.47 Peroxynitrite scavenging activity assessed as inhibition of DHR 123 oxidation af... 28787158

Literature References

PubMed DOI Target Context # Activities
21316230 10.1016/j.bmcl.2011.01.070 Caco-2 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
21316230 10.1016/j.bmcl.2011.01.070 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
16084720 10.1016/j.bmcl.2005.06.072 Disintegrin and metalloproteinase domain-containing protein 17 2
21316230 10.1016/j.bmcl.2011.01.070 Femur 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
28787158 10.1021/acs.jnatprod.7b00139 No relevant target 1
21316230 10.1016/j.bmcl.2011.01.070 Brain 1
21316230 10.1016/j.bmcl.2011.01.070 Kidney 1
21316230 10.1016/j.bmcl.2011.01.070 Liver 1
19261478 10.1016/j.bmc.2009.02.018 ADMET 1
19261478 10.1016/j.bmc.2009.02.018 NON-PROTEIN TARGET 1
19261478 10.1016/j.bmc.2009.02.018 No relevant target 1

Data from ChEMBL 36 via Core Engine