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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1076347
CHEMBL1076347
Compound Name TRICLOCARBAN
ChEMBL Synonyms TRICLOCARBAN | TCC SOAP
Max Phase 0
Trade Names
Molecular Formula C13H9Cl3N2O

Additional synonyms for CHEMBL1076347 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Standard InChI InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11 ...
Download InChI
Standard InChI Key ICUTUKXCWQYESQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1076347

Molecule Features

CHEMBL1076347 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1076347. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL6145 Inosine-5'-monophosphate dehydrogenase, probable Cryptosporidium parvum 1.000
CHEMBL2409 Epoxide hydratase Homo sapiens 0.999
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 0.999
CHEMBL3473 C-C chemokine receptor type 3 Homo sapiens 0.999
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.994
CHEMBL1075167 Homeodomain-interacting protein kinase 4 Homo sapiens 0.991
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.979
CHEMBL2568 Liver glycogen phosphorylase Homo sapiens 0.973
CHEMBL298 Cholecystokinin B receptor Homo sapiens 0.955
CHEMBL4908 Trace amine-associated receptor 1 Mus musculus 0.952
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 0.875
CHEMBL2250 Tyrosine-protein kinase BLK Homo sapiens 0.874
CHEMBL4227 Lipoxin A4 receptor Homo sapiens 0.841
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 0.812
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.808
CHEMBL1075228 Melanin-concentrating hormone receptor 1 Rattus norvegicus 0.795
CHEMBL3921 Heparanase Homo sapiens 0.530
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.523
CHEMBL1949 Cyclophilin A Homo sapiens 0.520
CHEMBL5330 Mitogen-activated protein kinase kinase kinase kinase 2 Homo sapiens 0.501



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6145 Inosine-5'-monophosphate dehydrogenase, probable Cryptosporidium parvum 1.000
CHEMBL1906 Serine/threonine-protein kinase RAF Homo sapiens 0.999
CHEMBL3473 C-C chemokine receptor type 3 Homo sapiens 0.998
CHEMBL2409 Epoxide hydratase Homo sapiens 0.997
CHEMBL2568 Liver glycogen phosphorylase Homo sapiens 0.996
CHEMBL1868 Vascular endothelial growth factor receptor 1 Homo sapiens 0.992
CHEMBL1075167 Homeodomain-interacting protein kinase 4 Homo sapiens 0.978
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 0.962
CHEMBL279 Vascular endothelial growth factor receptor 2 Homo sapiens 0.955
CHEMBL298 Cholecystokinin B receptor Homo sapiens 0.936
CHEMBL4908 Trace amine-associated receptor 1 Mus musculus 0.920
CHEMBL3201 Aryl hydrocarbon receptor Homo sapiens 0.850
CHEMBL1075228 Melanin-concentrating hormone receptor 1 Rattus norvegicus 0.822
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 0.809
CHEMBL3921 Heparanase Homo sapiens 0.792
CHEMBL4227 Lipoxin A4 receptor Homo sapiens 0.759
CHEMBL2250 Tyrosine-protein kinase BLK Homo sapiens 0.701
CHEMBL4375 Serine/threonine-protein kinase SRPK1 Homo sapiens 0.679
CHEMBL4708 Serine/threonine-protein kinase MST2 Homo sapiens 0.662
CHEMBL2426 Casein kinase I gamma 1 Homo sapiens 0.643

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
315.6 313.978 4.52 2 41.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.77 - 6.07 6.07 2 19 0.84

Structural Alerts

There are no structural alerts for CHEMBL1076347

Compound Cross References

ChemSpider ChemSpider:ICUTUKXCWQYESQ-UHFFFAOYSA-N
PubChem SID: 124892764 SID: 144205631 SID: 144209228 SID: 144210799 SID: 170465481 SID: 26757451 SID: 85148633
Wikipedia Triclocarban

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1076347



ACToR 101-20-2
BindingDB 25730
ChEBI 48347
eMolecules 478039
EPA CompTox Dashboard DTXSID4026214
FDA SRS BGG1Y1ED0Y
IBM Patent System D269A2B18C720E7E45A190B94664C983
Mcule MCULE-7925567906
MolPort MolPort-001-012-487
Nikkaji J60.108J
PubChem 7547
PubChem: Thomson Pharma 14923611
SureChEMBL SCHEMBL68658
ZINC ZINC00121480

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ICUTUKXCWQYESQ-UHFFFAOYSA-N spacer
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