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Carbidopa

2D Structure
3D Structure
Source:
General
Identifier MM16716
SMILES CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O
InChIKey TZFNLOMSOLWIDK-UHFFFAOYSA-N
MW [Da] 226.23

Automatically obtained from RDkit software.
LogP -0.05

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
Methyldopa
Similarity: 0.8635
Similarity to Methyldopa
Tanimoto metric 0.8635
Cosine metric 0.9293
Dice metric 0.9268
MW:
211.22
PI:
1
Total passive interactions
Carbidopa
 1
Methyldopa
 1
LogP:
0.44
AI:
0
Total active interactions
Carbidopa
 3
Methyldopa
 0
L-dopa
Similarity: 0.7469
Similarity to L-dopa
Tanimoto metric 0.7469
Cosine metric 0.8642
Dice metric 0.8551
MW:
197.19
PI:
14
Total passive interactions
Carbidopa
 1
L-dopa
 14
LogP:
0.05
AI:
4
Total active interactions
Carbidopa
 3
L-dopa
 4
L-alpha-methyltyrosine
Similarity: 0.6998
Similarity to L-alpha-methyltyrosine
Tanimoto metric 0.6998
Cosine metric 0.8365
Dice metric 0.8234
MW:
195.22
PI:
1
Total passive interactions
Carbidopa
 1
L-alpha-methyltyrosine
 1
LogP:
0.74
AI:
1
Total active interactions
Carbidopa
 3
L-alpha-methyltyrosine
 1
+16 more

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Methods

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Target
Uniprot ID
Type
pKm
pEC50
pKi
pIC50
Primary
reference
Secondary
reference
Note
ABCC2
Non-inhibitor
3.88

Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.: A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci, Volume 136 (1), 2013

Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.: A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci, Volume 136 (1), 2013

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024

ABCC3
Non-inhibitor
3.88

Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.: A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci, Volume 136 (1), 2013

Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.: A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci, Volume 136 (1), 2013

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024

ABCC4
Non-inhibitor
3.88

Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.: A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci, Volume 136 (1), 2013

Morgan RE, van Staden CJ, Chen Y, Kalyanaraman N, Kalanzi J, Dunn RT, Afshari CA, Hamadeh HK.: A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci, Volume 136 (1), 2013

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024