Compound Detail
CHEMBL14060
PHENOL 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL14060 |
| Name | PHENOL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | ISWSIDIOOBJBQZ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
16
Targets
93
Activities
4
Assay Types
0
PK Parameters
20
Publications
14
Known Names
8
Indications
Molecular Properties
94.1
MW (Da)
1.39
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Withdrawn |
| Chirality | Achiral |
Indications
Herpes Labialis Hypersensitivity Pruritus Varicose Veins Cytomegalovirus Infections Nephrotic Syndrome Back Pain Rhinitis, Allergic, Seasonal
ATC Classification
C05BB05
phenol
Level 1: CARDIOVASCULAR SYSTEM
Level 2: VASOPROTECTIVES
D08AE03
phenol
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS
N01BX03
phenol
Level 1: NERVOUS SYSTEM
Level 2: ANESTHETICS
R02AA19
phenol
Level 1: RESPIRATORY SYSTEM
Level 2: THROAT PREPARATIONS
Drug Warnings
Withdrawn
General Warning
benefits do not outweigh the risks
Activity Summary
Ki 76 meas. best 5.57
EC50 9 meas.
Kd 5 meas. best 5.42
IC50 3 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 3 CHEMBL2885 | Ki | 5.57 | 5.57 | 2700.0 | 4 |
| Unchecked CHEMBL612545 | Kd | 5.42 | 5.42 | 3800.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.26 | 5.26 | 5500.0 | 11 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.06 | 5.06 | 8800.0 | 8 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 5.04 | 5.04 | 9200.0 | 7 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 5.02 | 5.02 | 9500.0 | 4 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.0 | 4.991 | 10100.0 | 10 |
| Carbonic anhydrase 15 CHEMBL5973 | Ki | 4.98 | 4.98 | 10500.0 | 3 |
| Carbonic anhydrase 14 CHEMBL3510 | Ki | 4.94 | 4.94 | 11500.0 | 4 |
| Carbonic anhydrase CHEMBL1795125 | Ki | 4.86 | 4.86 | 13700.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.79 | 4.785 | 16045.0 | 2 |
| Carbonic anhydrase CHEMBL5337 | Ki | 4.76 | 4.76 | 17300.0 | 1 |
| Carbonic anhydrase 2 CHEMBL1697676 | Ki | 4.59 | 4.59 | 25900.0 | 1 |
| Beta-carbonic anhydrase 1 CHEMBL5631 | Ki | 4.19 | 4.19 | 64000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.19 | 4.16 | 64000.0 | 3 |
| PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) CHEMBL5767 | Ki | 4.1 | 4.1 | 79000.0 | 1 |
| Endolysin CHEMBL5206 | Kd | 4.04 | 4.04 | 90900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789751 | 10.1021/jm060230+ | ADMET | 10 |
| 21332115 | 10.1021/jm1013242 | Unchecked | 8 |
| 26986086 | 10.1016/j.ejmech.2016.03.008 | Unchecked | 8 |
| 3599019 | 10.1021/jm00390a002 | No relevant target | 6 |
| 23473072 | 10.1021/jm301823g | Endolysin | 5 |
| 17418579 | 10.1016/j.bmc.2007.03.040 | ADMET | 5 |
| 894678 | 10.1021/jm00218a017 | No relevant target | 4 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 38903945 | 10.1039/d4md00115j | GL261 | 3 |
| 23265903 | 10.1016/j.bmcl.2012.11.085 | Unchecked | 3 |
| 13215 | 10.1021/jm00211a010 | No relevant target | 3 |
| 27480027 | 10.1016/j.bmc.2016.07.048 | Tyrosinase | 3 |
| 6802973 | 10.1021/jm00345a016 | No relevant target | 3 |
| 16279782 | 10.1021/jm050567w | L1210 | 3 |
| 30568753 | 10.1039/C8MD00436F | Unchecked | 3 |
| 38903945 | 10.1039/d4md00115j | BXPC-3 | 3 |
| 28343756 | 10.1016/j.bmc.2017.03.026 | Unchecked | 3 |
| 27908763 | 10.1016/j.bmcl.2016.11.048 | No relevant target | 3 |
| 12459019 | 10.1021/jm010481c | Sulfotransferase 1A1 | 3 |
| 9526560 | 10.1021/jm9704311 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine