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Carbon Tetrachloride

2D Structure
3D Structure
Source:
General
Identifier MM17099
SMILES ClC(Cl)(Cl)Cl
InChIKey VZGDMQKNWNREIO-UHFFFAOYSA-N
MW [Da] 153.82

Automatically obtained from RDkit software.
LogP 2.55

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
Chloroform
Similarity: 0.75
Similarity to Chloroform
Tanimoto metric 0.75
Cosine metric 0.866
Dice metric 0.8571
MW:
119.38
PI:
6
Total passive interactions
Carbon Tetrachloride
 2
Chloroform
 6
LogP:
1.99
AI:
0
Total active interactions
Carbon Tetrachloride
 3
Chloroform
 0
1,1,1-Trichloroethane
Similarity: 0.375
Similarity to 1,1,1-Trichloroethane
Tanimoto metric 0.375
Cosine metric 0.5669
Dice metric 0.5455
MW:
133.41
PI:
5
Total passive interactions
Carbon Tetrachloride
 2
1,1,1-Trichloroethane
 5
LogP:
2.38
AI:
0
Total active interactions
Carbon Tetrachloride
 3
1,1,1-Trichloroethane
 0
Bromo(dichloro)methane
Similarity: 0.2857
Similarity to Bromo(dichloro)methane
Tanimoto metric 0.2857
Cosine metric 0.4472
Dice metric 0.4444
MW:
163.83
PI:
5
Total passive interactions
Carbon Tetrachloride
 2
Bromo(dichloro)methane
 5
LogP:
2.14
AI:
0
Total active interactions
Carbon Tetrachloride
 3
Bromo(dichloro)methane
 0

No data

Methods

Computed
Q-based
QSAR

No data

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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