General
Preferred name
INDOLE-3-CARBINOL
Synonyms
I3C ()
3-Indolemethanol ()
Indole-3-Methanol ()
Indole 3-carbinol ()
NSC-525801 ()
P&D ID
PD000942
CAS
700-06-1
Tags
available
drug candidate
Drug indication
Breast cancer
Neoplasm
Drug Status
investigational
Max Phase
2.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Indole-3-carbinol (I3C) inhibits NF-¦ÊB activity and also is an Aryl hydrocarbon receptor (AhR) agonist, and an inhibitor of WWP1 (WW domain-containing ubiquitin E3 ligase 1).
PRICE
29
DESCRIPTION
Indole-3-carbinol (I3C), a naturally occurring, orally available cleavage product of the glucosinolate glucobrassicanin, inhibits NF-??B and I??B?? kinase activation.
DESCRIPTION
Indole-3-carbinol (I3C) is a secondary plant metabolite produced in Brassica family vegetables. It has been reported as an aryl hydrocarbon receptor agonist, although its affinity is very low and it therefore may not be a significant agonist of the AhR in vivo . Anticarcinogenic and antitumourigenic properties of I3C have been reported in various types of cancer cells .
(GtoPdb)
DESCRIPTION
Indole-3-carbinol inhibits NF-κB activity and also is an Aryl hydrocarbon receptor (AhR) agonist. Indole-3-carbinol functions as a negative regulator of estrogen action in hormonesensitive cancer cells through the inhibition of estrogen receptor (ER)-alpha signaling and/or induction of cytochrome P-450-mediated estrogen metabolism, suggesting its clinical use in hormone-sensitive cancers. It is used for prevention of breast cancer, colon cancer, and other types of cancer.
(Enamine Bioactive Compounds)
DESCRIPTION
Indole-3-carbinol (I3C), a naturally occurring, orally available cleavage product of the glucosinolate glucobrassicanin, inhibits NF-κB and IκBα kinase activation.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
0
Compound Sets
16
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugMAP
Enamine Bioactive Compounds
Enamine BioReference Compounds
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Molecular Weight
147.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
2
cLogP
1.66
TPSA
36.02
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
NF-??
Apoptosis
Immunology/Inflammation
Metabolism
NF-κB
Ubiquitination
Metabolic Enzyme/Protease
Target
AHR
Aryl hydrocarbon receptor
E1/E2/E3 Enzyme
Endogenous Metabolite
p53
MOA
aryl hydrocarbon receptor agonist, indoleamine 2,3-dioxygenase inhibitor
Source data
