General
Preferred name
INDOLE
Synonyms
Indole hydrochloride ()
2,3-Benzopyrrole ()
P&D ID
PD014419
CAS
2584-75-0
120-72-9
Tags
available
drug candidate
Drug Status
experimental
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 Indole is an aromatic, heterocyclic, organic compound which widely distributed in the natural environment and can be produced by a variety of bacteria. Indole regulates various aspects of bacterial physiology, including spore formation, plasmid stability, resistance to drugs, biofilm formation, and virulence as an intercellular signal molecule[1].
PRICE 29
DESCRIPTION Indole is a novel androgen receptor down-regulating agent. (Enamine Bioactive Compounds)
DESCRIPTION Indole has a bicyclic structure, consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. It can be produced by bacteria as a degradation product of the amino acid tryptophan. It occurs naturally in human feces and has an intense fecal smell. At very low concentrations, however, it has a flowery smell, and is a constituent of many flower scents (such as orange blossoms) and perfumes. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
1
Compound Sets
7
DrugBank
DB04532
Enamine Bioactive Compounds
EBC-03200
MedChem Express Bioactive Compound Library
HY-W001132
NPC Screening Collection
Selleckchem Bioactive Compound Library
indole
TargetMol Bioactive Compound Library
T4799
ZINC Tool Compounds
ZINC000014516984
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
117.06
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
2.17
TPSA
15.79
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data