Drug Details

General Information of the Drug (ID: DR6637)
Name
Indole-3-carbinol
Synonyms
3-Indolemethanol; INDOLE-3-METHANOL; (1H-Indol-3-yl)methanol; 1H-indol-3-ylmethanol; 3-Hydroxymethylindole; 1H-Indole-3-methanol; 3-Indolylcarbinol; Indinol; 3-(Hydroxymethyl)indole; 3-Indole methanol; Indole 3 carbinol; (1H-Indol-3-yl)-methanol; I3C; MFCD00005632; UNII-C11E72455F; CHEBI:24814; C11E72455F; NSC-525801; NCGC00090701-06; indol-3-ylmethan-1-ol; I0496; Indole-3-carbinol, 97%; SMR000385784; CCRIS 3261; EINECS 211-836-2; 1H-Indol-3-Yl-Methanol; NSC 525801; BRN 0121323; AI3-60090; 3-Indolecarbinol; 3-Indolylmethanol; Prevention 4 (indole-3-carbinol); indole-3-carbinole; zlchem 356; PubChem7265; 3-hydroxymethyl indole; Spectrum2_001710; Spectrum3_001973; ACMC-209oc7; 1~{H}-indol-3-ylmethanol; DSSTox_CID_11458; DSSTox_RID_78876; DSSTox_GSID_31458; BSPBio_003573; MLS001333161; MLS001333162; SCHEMBL195520; SPECTRUM1505320; SPBio_001700; CHEMBL155625; 1H-Indole-3-methanol (9CI); 3-Phenoxybenzylaminehydrochloride; DTXSID7031458; GTPL10047; KBio3_002949; ZLC0198; HMS1789O22; HMS2235E10; HMS3369B02; HMS3651I18; HMS3749E07; ZINC158743; ACN-S002804; ACT03591; BCP00087; HY-N0170; INDOLE-3-CARBINOL (I3C); Tox21_400055; 9344AF; ANW-35813; CCG-38786; HSCI1_000097; NSC525801; s2313; SBB004095; AKOS001075120; AC-7583; CS-7780; DB12881; GS-0916; LS20980; MCULE-6344603304; SB14958; SDCCGMLS-0065970.P001; SDCCGMLS-0065970.P002; VI30396; Indole-3-methanol (Indole-3-carbinol); SMP2_000172; NCGC00090701-01; NCGC00090701-02; NCGC00090701-03; NCGC00090701-04; NCGC00090701-05; NCGC00090701-07; AK-53373; CAS-700-06-1; SY015976; AB0008317; DB-011567; A9256; FT-0615875; ST50308202; SW219849-1; 00I061; I-2100; M-3233; A836732; SR-01000838318; Q1770257; SR-01000838318-3; BRD-K01815685-001-02-3; BRD-K01815685-001-07-2; Z85923165; FXK
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Molecular Type
Small molecule
Disease Breast cancer [ICD-11: 2C60] Phase 1 [1]
Structure
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2D MOL

3D MOL

    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C9H9NO
PubChem CID
3712
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CO
InChI
1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
InChIKey
IVYPNXXAYMYVSP-UHFFFAOYSA-N
CAS Number
CAS 700-06-1
DrugBank ID
DB12881
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Genistein      Glycine max     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Phosphorylation AKT1  Molecule Info 
Pathway MAP
                    In-vitro Model HT-29 CVCL_0320 Colon adenocarcinoma Homo sapiens
                    Experimental
                    Result(s)		 A combination of indol-3-carbinol and genistein synergistically induces apoptosis in human colon cancer HT-29 cells by inhibiting Akt phosphorylation and progression of autophagy.
    β. A List of Natural Product(s) Able to Decrease the Adverse Effect of This Drug
          Silibinin      Carduus marianus     Click to Show/Hide the Molecular Data of This NP
                 Decreasing Adverse Drug Reaction     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [3]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Phosphorylation AKT1  Molecule Info 
Pathway MAP
Down-regulation Expression CCND1  Molecule Info 
Pathway MAP
Down-regulation Expression CDK2  Molecule Info 
Pathway MAP
Down-regulation Expression CDK4  Molecule Info 
Pathway MAP
Down-regulation Expression COX-2  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation NFKBIA  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation RB1  Molecule Info 
Pathway MAP
Down-regulation Phosphorylation STAT3  Molecule Info 
Pathway MAP
                    In-vitro Model Bronchial 1799 and 1198 cells Healthy Homo sapiens
                    Experimental
                    Result(s)		 Combinations of indole-3-carbinol and silibinin suppress inflammation-driven mouse lung tumorigenesis by modulating critical cell cycle regulators.
Target and Pathway
Target(s) Programmed cell death protein 1 (PD-1)  Molecule Info  [4]
KEGG Pathway Cell adhesion molecules (CAMs) Click to Show/Hide
2 T cell receptor signaling pathway
Reactome PD-1 signaling Click to Show/Hide
WikiPathways T-Cell Receptor and Co-stimulatory Signaling Click to Show/Hide
2 Costimulation by the CD28 family
References
Reference 1 ClinicalTrials.gov (NCT00033345) Indole-3-Carbinol in Preventing Breast Cancer in Nonsmoking Women Who Are at High Risk For Breast Cancer
Reference 2 A combination of indol-3-carbinol and genistein synergistically induces apoptosis in human colon cancer HT-29 cells by inhibiting Akt phosphorylation and progression of autophagy. Mol Cancer. 2009 Nov 12;8:100.
Reference 3 Combinations of indole-3-carbinol and silibinin suppress inflammation-driven mouse lung tumorigenesis by modulating critical cell cycle regulators. Carcinogenesis. 2015 Jun;36(6):666-75.
Reference 4 Safety, activity, and immune correlates of anti-PD-1 antibody in cancer. N Engl J Med. 2012 Jun 28;366(26):2443-54.
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