General
Preferred name
INDOLE
Synonyms
Indole hydrochloride ()
2,3-Benzopyrrole ()
P&D ID
PD014419
CAS
120-72-9
2584-75-0
Tags
drug candidate
natural product
available
Drug Status
experimental
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
1
Compound Sets
6
DrugBank
MedChem Express Bioactive Compound Library
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
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
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
