This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Indigo
- DrugBank Accession Number
- DB16862
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
Structure for Indigo (DB16862)
- Weight
- Average: 262.268
Monoisotopic: 262.07422757 - Chemical Formula
- C16H10N2O2
- Synonyms
- D&C Blue No. 6
- Indigotin
- External IDs
- AO201
- C.I.73000
- CI 73000
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UAryl hydrocarbon receptor binderHumans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 1G5BK41P4F
- CAS number
- 482-89-3
- InChI Key
- COHYTHOBJLSHDF-BUHFOSPRSA-N
- InChI
- InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
- IUPAC Name
- (E)-1H,1'H,3H,3'H-[2,2'-biindolylidene]-3,3'-dione
- SMILES
- O=C1\C(NC2=C1C=CC=C2)=C1/NC2=C(C=CC=C2)C1=O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0240742
- ChemSpider
- 4477009
- 1426889
- ChEMBL
- CHEMBL599552
- ZINC
- ZINC000100014196
- Wikipedia
- Indigo
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Childhood Acute Promyelocytic Leukemia (M3) 1 4 Recruiting Treatment Arsenic Trioxide / Childhood Acute Lymphoblastic Leukemia 1 3 Not Yet Recruiting Treatment Acute Promyelocytic Leukemia 1 3 Recruiting Treatment Acute Promyelocytic Leukemia 1 3 Suspended Treatment Chronic Myelogenous Leukemia (CML) 1 2 Completed Treatment Anus Neoplasms 1 2 Completed Treatment Atopic Dermatitis 2 2 Completed Treatment Psoriasis (PsO) 1 2 Completed Treatment Psoriasis Vulgaris (Plaque Psoriasis) 2 2 Not Yet Recruiting Treatment Rhabdomyosarcoma, Child 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0405 mg/mL ALOGPS logP 2.76 ALOGPS logP 2.65 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 8.48 Chemaxon pKa (Strongest Basic) -7.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.2 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 80.04 m3·mol-1 Chemaxon Polarizability 27.82 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Binder
- General Function
- Transcription regulatory region dna binding
- Specific Function
- Ligand-activated transcriptional activator. Binds to the XRE promoter region of genes it activates. Activates the expression of multiple phase I and II xenobiotic chemical metabolizing enzyme genes...
- Gene Name
- AHR
- Uniprot ID
- P35869
- Uniprot Name
- Aryl hydrocarbon receptor
- Molecular Weight
- 96146.705 Da
References
- Adachi J, Mori Y, Matsui S, Takigami H, Fujino J, Kitagawa H, Miller CA 3rd, Kato T, Saeki K, Matsuda T: Indirubin and indigo are potent aryl hydrocarbon receptor ligands present in human urine. J Biol Chem. 2001 Aug 24;276(34):31475-8. Epub 2001 Jun 25. [Article]
- Peter Guengerich F, Martin MV, McCormick WA, Nguyen LP, Glover E, Bradfield CA: Aryl hydrocarbon receptor response to indigoids in vitro and in vivo. Arch Biochem Biophys. 2004 Mar 15;423(2):309-16. [Article]
Drug created at July 26, 2022 15:07 / Updated at December 01, 2022 11:31