Compound Detail
CHEMBL278390
INDOLE-2-CARBOXYLIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL278390 |
| Name | INDOLE-2-CARBOXYLIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCUARRIEZVDMPT-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
1.87
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.13
Ki 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 CHEMBL1856 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| D-amino-acid oxidase CHEMBL5485 | IC50 | 6.13 | 6.13 | 745.0 | 1 |
| D-amino-acid oxidase CHEMBL6172 | Ki | 5.47 | 5.47 | 3400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.96 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | Ki | = | 230.0 | nM | 6.64 | Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 e... | 7837223 |
| D-amino-acid oxidase | IC50 | = | 745.0 | nM | 6.13 | Inhibition of human DAO | 18455394 |
| D-amino-acid oxidase | Ki | = | 3400.0 | nM | 5.47 | Competitive inhibition of pig kidney DAAO in presence of D-alanine | 23631755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2146391 | 10.1021/jm00173a003 | Glutamate NMDA receptor | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 1534125 | 10.1021/jm00088a014 | Glutamate NMDA receptor | 2 |
| - | 10.6019/CHEMBL4513135 | Staphylococcus aureus | 1 |
| 1849994 | 10.1021/jm00108a007 | Glutamate NMDA receptor | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 30343193 | 10.1016/j.ejmech.2018.10.027 | Unchecked | 1 |
| 28525840 | 10.1016/j.ejmech.2017.05.031 | Unchecked | 1 |
| 25844895 | 10.1021/jm501984f | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23631755 | 10.1021/jm4002583 | D-amino-acid oxidase | 1 |
| 23244564 | 10.1021/jm301448p | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 19520580 | 10.1016/j.bmc.2009.05.042 | Histone deacetylase | 1 |
| 18455394 | 10.1016/j.bmcl.2008.04.020 | D-amino-acid oxidase | 1 |
| 18455394 | 10.1016/j.bmcl.2008.04.020 | D-aspartate oxidase | 1 |
| 1534125 | 10.1021/jm00088a014 | NON-PROTEIN TARGET | 1 |
| 15115392 | 10.1021/jm0305117 | NS3 | 1 |
| 7837223 | 10.1021/jm00001a004 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine