Compound Detail
CHEMBL2349386
2-(2'-HYDROXYPHENYL)-1H-INDOLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2349386 |
| Name | 2-(2'-HYDROXYPHENYL)-1H-INDOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKZRPPBUMLPCRF-UHFFFAOYSA-N |
2
Targets
14
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
3.54
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 4.0
IC50 6 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.32 | 4.1367 | 48000.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 4.0 | 4.0 | 99000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 48000.0 | nM | 4.32 | Antiproliferative activity against human IN1472 cells assessed as inhibition of ... | 23419325 |
| NON-PROTEIN TARGET | IC50 | = | 90000.0 | nM | 4.05 | Antiproliferative activity against human IN1265 cells assessed as inhibition of ... | 23419325 |
| NON-PROTEIN TARGET | IC50 | = | 92000.0 | nM | 4.04 | Antiproliferative activity against human U251MG cells assessed as inhibition of ... | 23419325 |
| Unchecked | EC50 | = | 99000.0 | nM | 4.0 | Antiproliferative activity against human IN1528 cells after 72 hrs by sulforhoda... | 30568753 |
| Unchecked | EC50 | = | 99000.0 | nM | 4.0 | Antiproliferative activity against human IN1528 cells assessed as inhibition of ... | 36206553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23419325 | 10.1016/j.bmc.2013.01.032 | NON-PROTEIN TARGET | 9 |
| 23419325 | 10.1016/j.bmc.2013.01.032 | U-87 MG | 4 |
| 23419325 | 10.1016/j.bmc.2013.01.032 | Unchecked | 4 |
| 30568753 | 10.1039/C8MD00436F | Unchecked | 3 |
| 36206553 | 10.1021/acs.jmedchem.2c00969 | Unchecked | 3 |
| 30568753 | 10.1039/C8MD00436F | U-87 MG | 1 |
| 30568753 | 10.1039/C8MD00436F | U-251 | 1 |
| - | 10.6019/CHEMBL4513144 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513144 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513144 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513144 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513144 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513144 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513144 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513144 | HEK293 | 1 |
| 36206553 | 10.1021/acs.jmedchem.2c00969 | U-251 | 1 |
Data from ChEMBL 36 via Core Engine