Compound Detail
CHEMBL23507
5-FLUOROINDOLE-2-CARBOXYLIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL23507 |
| Name | 5-FLUOROINDOLE-2-CARBOXYLIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTXBRZCVLDTWLP-UHFFFAOYSA-N |
6
Targets
6
Activities
3
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
2.01
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.9
Kd 2 meas. best 5.54
Ki 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | Kd | 5.54 | 5.54 | 2900.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.04 | 4.04 | 91000.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 3.63 | 3.63 | 234000.0 | 1 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 3.53 | 3.53 | 297000.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 2.54 | 2.54 | 2900000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | Kd | = | 2900.0 | nM | 5.54 | Dissociation constant for HCV NS3 protease substrate binding site | 15115392 |
| Plasmodium falciparum | IC50 | = | 12589.25 | nM | 4.9 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... | 19734910 |
| Glutamate NMDA receptor | Ki | = | 91000.0 | nM | 4.04 | Inhibition of strychnine-insensitive [3H]glycine binding to the N-methyl-D-aspar... | 1849994 |
| Unchecked | Kd | = | 234000.0 | nM | 3.63 | Binding affinity to Bacillus anthracis PurE by Surface Plasmon Resonance analysi... | 26740153 |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 297000.0 | nM | 3.53 | Competitive inhibition of PDK1 using [gamma-33P]-ATP as substrate after 30 mins ... | 22591730 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2900000.0 | nM | 2.54 | Inhibition of HIV-1 reverse transcriptase RT52A mutant using ABTS as substrate p... | 37115705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26740153 | 10.1016/j.bmc.2015.12.029 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37115705 | 10.1021/acs.jmedchem.2c01681 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 1849994 | 10.1021/jm00108a007 | Glutamate NMDA receptor | 1 |
| 15115392 | 10.1021/jm0305117 | NS3 | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 1 |
| 22591730 | 10.1016/j.bmcl.2012.04.080 | 3-phosphoinositide-dependent protein kinase 1 | 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 |
| 28495381 | 10.1016/j.bmc.2017.04.037 | Casein kinase II subunit alpha | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine