General
Preferred name
DIM
Synonyms
3,3'-DIINDOLYLMETHANE ()
Diindolylmethane ()
ARUNDINE ()
HB 236 ()
3,3'-Diindolylmethane ()
1,1-Bis(3'-Indolyl)Methane ()
3,3-Diindolylmethane ()
P&D ID
PD000931
CAS
1968-05-4
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Positive allosteric modulator of GPR84. (GtoPdb)
DESCRIPTION 3,3'-Diindolylmethane is an activator of checkpoint kinase 2 (Chk2) that induces G2/M cell cycle arrest in various cancer cell lines. It is used as an antineoplastic agent.
Nutritional supplement in health care products. (BOC Sciences Bioactive Compounds)
Cell lines
3
Organisms
1
Compound Sets
14
BOC Sciences Bioactive Compounds
3-3-diindolylmethane-cas-1968-05-4-item-289521
Cayman Chemical Bioactives
15927
ChEMBL Drugs
CHEMBL446452
Concise Guide to Pharmacology 2021/22
11208
Concise Guide to Pharmacology 2023/24
11208
Drug Repurposing Hub
DrugBank
DB11875
Guide to Pharmacology
11208
MedChem Express Bioactive Compound Library
HY-15758
Novartis Chemogenetic Library (NIBR MoA Box)
NURSA ligand set
nursa/index.jsf?doi=10.1621%2FWW4CHJHACO
nursa/index.jsf?doi=10.1621%2FZ89HXAZ2TP
ReFrame library
Selleckchem Bioactive Compound Library
3-3-diindolylmethane
TargetMol Bioactive Compound Library
T2991
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
246.12
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
4
cLogP
4.24
TPSA
31.58
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Endocrinology/Hormones
Autophagy
Vitamin D Related/Nuclear Receptor
Target
Androgen Receptor
AR, HIF1A, IFNG, PI3
Member status
virtual
MOA
Androgen Receptor Antagonists
Indoleamine 2,3-dioxygenase Inhibitors
Aryl Hydrocarbon Receptor (AhR) Agonists
CHK inhibitor, cytochrome P450 activator, indoleamine 2,3-dioxygenase inhibitor
Source data