General
Preferred name
INDOLE-3-BUTYRIC ACID
Synonyms
IBA ()
Hormodin ()
3-Indolebutyric Acid ()
3-Indolebutyric acid (IBA) ()
Indolebutyric acid ()
P&D ID
PD007678
CAS
133-32-4
111150-79-9
Tags
available
drug candidate
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()] ]]
Description
(extracted from source data)
DESCRIPTION
3-Indolebutyric acid(IBA) is a plant hormone in the auxin family and is an ingredient in many commercial plant rooting horticultural products.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugBank
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
Molecular Weight
203.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
2.58
TPSA
53.09
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.8
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
B2M, HLA-A, TRAC, TRBC1
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Solubility
Soluble in DMSO (Slightly), Methanol (Slightly)
Source data
