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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL107
CHEMBL107
Compound Name COLCHICINE
ChEMBL Synonyms MITIGARE | COLCRYS | COLCHICINE
Max Phase 4 (Approved)
Trade Names COLCRYS | Colchicine | MITIGARE
Molecular Formula C22H25NO6

Additional synonyms for CHEMBL107 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C
Standard InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4) ...
Download InChI
Standard InChI Key IAKHMKGGTNLKSZ-INIZCTEOSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Open TG-GATEs
  • Orange Book
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL107

Molecule Features

CHEMBL107 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Tubulin inhibitor Tubulin DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma2ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease2ClinicalTrials
Myocardial InfarctionD009203EFO:0000612myocardial infarction3ClinicalTrials
Arrhythmias, CardiacD001145EFO:0004269cardiac arrhythmia3ClinicalTrials
ObesityD009765EFO:0001073obesity1ClinicalTrials
Stomatitis, AphthousD013281EFO:0003938aphthous ulcer2ClinicalTrials
Hepatitis C, ChronicD019698EFO:0004220Chronic Hepatitis C infection2ClinicalTrials
Liver CirrhosisD008103EFO:0001422cirrhosis of liver1ClinicalTrials
Behcet SyndromeD001528EFO:0003780Behcet's syndrome2ClinicalTrials
Diabetic NephropathiesD003928EFO:0000401diabetic nephropathy2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
Vascular DiseasesD014652EFO:0004264vascular disease2ClinicalTrials
Acute Coronary SyndromeD054058EFO:0005672acute coronary syndrome2ClinicalTrials
Familial Mediterranean FeverD010505Orphanet:342Familial Mediterranean fever2ClinicalTrials
Liver Cirrhosis, BiliaryD008105EFO:1001486primary biliary cirrhosis3ClinicalTrials
Postpericardiotomy SyndromeD011185EFO:1001404Postpericardiotomy Syndrome3ClinicalTrials
PericarditisD010493EFO:0007427pericarditis3ClinicalTrials
Atrial FibrillationD001281EFO:0000275atrial fibrillation3ClinicalTrials
GoutD006073EFO:0004274gout4ATC
ClinicalTrials
OsteoarthritisD010003EFO:0002506osteoarthritis2ClinicalTrials
Vitreoretinopathy, ProliferativeD018630EFO:1001129proliferative vitreoretinopathy3ClinicalTrials

Clinical Data

ClinicalTrials.gov COLCHICINE
The Cochrane Collaboration COLCHICINE

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 CHEMBL107. 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
CHEMBL4372 Anthrax lethal factor Bacillus anthracis 0.273

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3394 Tubulin beta chain Bos taurus 1.000
CHEMBL1915 Tubulin beta-1 chain Homo sapiens 1.000
CHEMBL3658 Tubulin alpha chain Sus scrofa 1.000
CHEMBL3959 Quinone reductase 2 Homo sapiens 0.633

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
399.4 399.1682 2.87 5 83.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.07 1.07 2 29 0.83

Structural Alerts

There are 5 structural alerts for CHEMBL107. To view alerts please click here.

Compound Cross References

ATC M - MUSCULO-SKELETAL SYSTEM
M04 - ANTIGOUT PREPARATIONS
M04A - ANTIGOUT PREPARATIONS
M04AC - Preparations with no effect on uric acid metabolism
M04AC01 - colchicine

ChemSpider ChemSpider:IAKHMKGGTNLKSZ-INIZCTEOSA-N
DailyMed colchicine
PubChem SID: 104219585 SID: 11114044 SID: 144204498 SID: 144208745 SID: 144210899 SID: 170465011 SID: 17389095 SID: 17389096 SID: 26752175 SID: 26752176 SID: 49718107 SID: 50085974 SID: 50104821 SID: 50104822 SID: 50113684 SID: 50113685 SID: 50113686 SID: 67636 SID: 90340644
Wikipedia Colchicine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL107



ACToR 30512-31-3
Atlas colchicine
BindingDB 50014846
Brenda 8394 3334 48923
ChEBI 27882
ChemicalBook CB6391144
DrugCentral 726
eMolecules 493998
EPA CompTox Dashboard DTXSID5024845
FDA SRS SML2Y3J35T
Guide to Pharmacology 2367
IBM Patent System 3F9FDDDC89D582F4FFF95A44C764B136
KEGG Ligand C07592
LINCS LSM-5199
Mcule MCULE-1568647156 MCULE-7858118731
Metabolights MTBLC27882
MolPort MolPort-001-742-594
Nikkaji J9.267C
NMRShiftDB 60000009
PDBe LOC
PharmGKB PA449092
PubChem 6167
PubChem: Drugs of the Future 12012587
PubChem: Thomson Pharma 14756995
SureChEMBL SCHEMBL8469
ZINC ZINC000000621853

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