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Compound Detail

CHEMBL196

ASCORBIC ACID
💊 Approved Drug
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💊 Approved Drug
O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196
Name ASCORBIC ACID
Phase Approved
Structure Type MOL
InChI Key CIWBSHSKHKDKBQ-JLAZNSOCSA-N

Known Names

3-keto-l-gulofuranolactone Acide ascorbique Acido ascorbico Acidum ascorbicum Ascoltin Ascor Ascorbate Ascorbic acid Ascorbic acid (vit c) Ascorbic acid component of moviprep Ascorbic acid component of plenvu Ascorbic acid component of vitaped +18 more
11
Targets
239
Activities
3
Assay Types
1
PK Parameters
20
Publications
30
Known Names
20
Indications
1
Mechanisms

Molecular Properties

176.1
MW (Da)
-1.41
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1985
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral Parenteral

Flags

Natural Product

Extended Properties

Molecular Formula C6H8O6
MW 176.12
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 2.26

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Supplement - - ✓ ✓

Indications

Anemia Anemia, Iron-Deficiency Eye Diseases Kidney Failure, Chronic Pneumonia Scurvy Anorexia Atrial Fibrillation Atrial Flutter Cataract Colorectal Neoplasms Colorectal Neoplasms Colorectal Neoplasms Complex Regional Pain Syndromes Coronary Disease Diabetes Mellitus Heart Failure Influenza, Human Leiomyoma Macular Degeneration

ATC Classification

A11GA01
ascorbic acid (vit C)
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: VITAMINS
G01AD03
ascorbic acid
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
S01XA15
ascorbic acid
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

IC50 203 meas. best 8.7
EC50 34 meas. best 9.3
Ki 2 meas. best 4.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-2B adrenergic receptor
CHEMBL1942
 EC50 9.3 9.3 0.5 1
Radical scavenging activity
CHEMBL613712
 IC50 8.7 4.8316 2.0 44
No relevant target
CHEMBL2362975
 IC50 8.08 4.9539 8.2 79
HL-60
CHEMBL383
 IC50 8.0 6.0 10.0 3
No relevant target
CHEMBL2362975
 EC50 7.7 5.26 20.0 14
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.66 4.75 220.0 26
Urease
CHEMBL4161
 IC50 5.07 5.07 8590.0 1
Radical scavenging activity
CHEMBL613712
 EC50 4.8 4.6275 15700.0 4
Unchecked
CHEMBL612545
 EC50 4.66 4.66 22000.0 1
Pancreatic alpha-amylase
CHEMBL2699
 IC50 4.58 4.58 26500.0 1
Unchecked
CHEMBL612545
 IC50 4.58 4.58 26500.0 2
Tyrosinase
CHEMBL1973
 IC50 4.49 4.49 32500.0 1
Brain
CHEMBL4296527
 IC50 4.41 4.41 38770.0 1
Pancreatic alpha-amylase
CHEMBL2699
 Ki 4.36 4.36 43400.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.32 4.32 48000.0 1
Liver
CHEMBL613642
 IC50 4.25 4.25 56500.0 1

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-2B adrenergic receptor EC50 = 0.5 nM 9.3 Agonist activity at human adrenergic alpha2B receptor expressed in HEK293 cells ... 19243956
Radical scavenging activity IC50 = 2.0 nM 8.7 Antioxidant activity assessed as DPPH radical scavenging activity by spectrophot... 19467877
No relevant target IC50 = 8.25 nM 8.08 Antioxidant activity assessed as H2O2 free radical scavenging activity after 1 h... 29032034
HL-60 IC50 = 10.0 nM 8.0 Antioxidant activity in human HL60 cells assessed as inhibition of relative oxyg... 19555121
No relevant target IC50 = 10.0 nM 8.0 Antioxidative activity assessed as ABTS cation radical scavenging activity 26125976
No relevant target EC50 = 20.0 nM 7.7 Antioxidant activity assessed as DPPH radical scavenging activity by spectrophot... 29089261
No relevant target IC50 = 20.0 nM 7.7 Antioxidative activity assessed as DPPH radical scavenging activity 26125976
No relevant target EC50 = 30.0 nM 7.52 Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... 34715585
Radical scavenging activity IC50 = 52.3 nM 7.28 Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins 18722771
NON-PROTEIN TARGET IC50 = 220.0 nM 6.66 Antioxidant activity assessed as peroxyl radical scavenging activity assessed as... 20709556
No relevant target EC50 = 270.0 nM 6.57 Antioxidant activity assessed as DPPH radical scavenging activity by absorbance ... 35901638
No relevant target IC50 = 410.0 nM 6.39 Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... 29280630
Radical scavenging activity IC50 = 410.0 nM 6.39 Antioxidant activity assessed as DPPH free radical scavenging activity incubated... 22626550
No relevant target IC50 = 461.0 nM 6.34 Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... 33901898
Radical scavenging activity IC50 = 520.0 nM 6.28 Antioxidant activity assessed as DPPH radical scavenging activity by by UV-vis s... 23466227
NON-PROTEIN TARGET IC50 = 520.0 nM 6.28 Antioxidant activity assessed as concentration required for 50 % inhibition of m... 23434138
No relevant target IC50 = 640.0 nM 6.19 Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... 38795518
No relevant target IC50 = 710.0 nM 6.15 Antioxidant activity assessed as nitric oxide free radical scavenging activity b... 23234407
No relevant target IC50 = 1250.0 nM 5.9 Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... 30956014
No relevant target IC50 = 1420.0 nM 5.85 Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... 38389875

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 320
- 10.1007/s00044-011-9702-5 NON-PROTEIN TARGET 20
22390834 10.1016/j.bmcl.2012.02.022 NON-PROTEIN TARGET 20
21803461 10.1016/j.ejmech.2011.07.014 Hyaluronidase 16
33513385 10.1016/j.bmcl.2021.127819 No relevant target 13
28676272 10.1016/j.bmcl.2017.06.043 No relevant target 12
30015075 10.1016/j.ejmech.2018.07.007 No relevant target 10
3351858 10.1021/jm00399a019 Rattus norvegicus 9
25740159 10.1016/j.bmcl.2015.02.013 No relevant target 8
- 10.1007/s00044-009-9292-7 NON-PROTEIN TARGET 8
- 10.1007/s00044-009-9196-6 Rattus norvegicus 8
- 10.1007/s00044-011-9909-5 Radical scavenging activity 8
- 10.1007/s00044-011-9909-5 No relevant target 8
20122766 10.1016/j.ejmech.2010.01.019 Rattus norvegicus 8
- 10.1007/s00044-009-9207-7 Rattus norvegicus 8
29908441 10.1016/j.ejmech.2018.06.015 No relevant target 7
17336429 10.1016/j.ejmech.2007.01.007 No relevant target 7
28512025 10.1016/j.bmcl.2017.05.017 No relevant target 7
29033348 10.1016/j.bmc.2017.09.045 No relevant target 7
20973550 10.1021/np100281g Radical scavenging activity 6

Data from ChEMBL 36 via Core Engine