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Compound Detail

CHEMBL1200748

CARBIDOPA
💊 Approved Drug
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💊 Approved Drug
C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O.O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200748
Name CARBIDOPA
Phase Approved
Structure Type MOL
InChI Key QTAOMKOIBXZKND-PPHPATTJSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1201236
Active Moiety CHEMBL1201236

Known Names

Carbidopa Carbidopa component of carbilev Carbidopa component of corbilta Carbidopa component of crexont Carbidopa component of dhivy Carbidopa component of dopasnap Carbidopa component of duopa Carbidopa component of ipx-203 Carbidopa component of levodopa//entacapone orion Carbidopa component of parcopa Carbidopa component of rytary Carbidopa component of sinemet +8 more
5
Targets
10
Activities
2
Assay Types
0
PK Parameters
17
Publications
20
Known Names
20
Indications
1
Mechanisms

Molecular Properties

226.2
MW (Da)
-0.05
ALogP
5
HBA
5
HBD
115.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1975
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Stem -dopa
USAN Year 1972

Extended Properties

Molecular Formula C10H16N2O5
MW 244.25
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.66

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
DOPA decarboxylase inhibitor INHIBITOR Aromatic-L-amino-acid decarboxylase ✓ ✓

Indications

Parkinson Disease Parkinson Disease, Postencephalitic Parkinson Disease, Secondary Wounds and Injuries Amblyopia Dysautonomia, Familial Dysautonomia, Familial Stroke Albinism Albinism, Oculocutaneous Aphasia Attention Deficit Disorder with Hyperactivity Back Pain Chronic Pain Cocaine-Related Disorders Cocaine-Related Disorders Fibromyalgia Macular Degeneration Multiple Sclerosis Pain

Activity Summary

IC50 9 meas. best 5.43
Ki 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4E
CHEMBL1293226
 Ki 5.7 5.7 1980.0 1
Tyrosine-protein kinase Fyn
CHEMBL1841
 IC50 5.43 5.43 3731.0 1
Unchecked
CHEMBL612545
 IC50 5.18 5.18 6540.0 1
Tyrosine-protein kinase Lck
CHEMBL258
 IC50 5.17 5.17 6795.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.0 4.9167 10000.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 4E Ki = 1980.0 nM 5.7 Uncompetitive inhibition of JMJD2E relative to alpha-ketoglutarate 21596573
Tyrosine-protein kinase Fyn IC50 = 3731.0 nM 5.43 DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:... -
Unchecked IC50 = 6540.0 nM 5.18 Inhibition of HIV1 integrase/LEDGF-75 (unknown origin) interaction 24025027
Tyrosine-protein kinase Lck IC50 = 6795.0 nM 5.17 DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:... -
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 228
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
19734910 10.1038/nchembio.215 Plasmodium falciparum 6
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 3
19457668 10.1016/j.bmcl.2009.05.002 ADMET 2
21596573 10.1016/j.bmc.2011.01.046 Lysine-specific demethylase 4E 1
24025027 10.1021/jm400674a Unchecked 1
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
21624500 10.1016/j.drudis.2011.05.007 Hepatotoxicity 1
10841799 10.1021/jm990968+ Mus musculus 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
20553011 10.1021/tx1000865 Hepatotoxicity 1
21055935 10.1016/j.bmcl.2010.10.068 No relevant target 1
17417631 10.1038/nchembio873 Unchecked 1
19457668 10.1016/j.bmcl.2009.05.002 B16-F10 1

Data from ChEMBL 36 via Core Engine