Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL82411

INDOLE-3-ACETIC ACID
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)Cc1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82411
Name INDOLE-3-ACETIC ACID
Phase Preclinical
Structure Type MOL
InChI Key SEOVTRFCIGRIMH-UHFFFAOYSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

175.2
MW (Da)
1.79
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H9NO2
MW 175.19
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.11

Activity Summary

IC50 2 meas. best 4.37
EC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.37 4.37 42980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 42980.0 nM 4.37 Inhibition of LOX (unknown origin) 30108915

Literature References

PubMed DOI Target Context # Activities
17583501 10.1016/j.bmcl.2007.06.025 Oryza sativa 12
11052720 10.1021/jf990685q Cryphonectria parasitica 4
18685200 10.1271/bbb.80138 Vigna mungo 3
- 10.1584/jpestics.26.266 Avena sativa 3
19113967 10.1021/np800501m Tryprostatin B synthase ftmPT1 2
19113967 10.1021/np800501m Unchecked 2
15730251 10.1021/np040178p Lactuca sativa 2
11804515 10.1021/jf010991f Fuchsia 2
17481907 10.1016/j.bmc.2007.04.005 No relevant target 1
19406637 10.1016/j.bmcl.2009.04.048 Cucumis sativus 1
19338303 10.1021/jm9000874 Kynurenine--oxoglutarate transaminase 1 1
9249978 10.1021/np970150w Liver microsomes 1
17481907 10.1016/j.bmc.2007.04.005 Albumin 1
36274276 10.1016/j.ejmech.2022.114845 Saccharomyces cerevisiae 1
17418579 10.1016/j.bmc.2007.03.040 ADMET 1
17201406 10.1021/jm060910c Unchecked 1
17201406 10.1021/jm060910c Peptide deformylase 1A, chloroplastic/mitochondrial 1
17201406 10.1021/jm060910c Bacillus subtilis 1
17201406 10.1021/jm060910c Escherichia coli 1
17201406 10.1021/jm060910c Peptide deformylase, mitochondrial 1

Data from ChEMBL 36 via Core Engine