Common name
2-hydroxybenzoic acid
IUPAC name
2-hydroxybenzoic acid
SMILES
c1cc(c(cc1)O)C(=O)O
Common name
2-hydroxybenzoic acid
IUPAC name
2-hydroxybenzoic acid
SMILES
c1cc(c(cc1)O)C(=O)O
INCHI
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
FORMULA
C7H6O3
Common name
2-hydroxybenzoic acid
IUPAC name
2-hydroxybenzoic acid
Molecular weight
138.121
clogP
0.738
clogS
-0.561
Frequency
0.0041
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
57.53
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00657 | Sulfasalazine |
|
Antirheumatic Agents; Anti-Inflammatory Agents, Non-Steroidal; Gastrointestinal Agents; Anti-Infective Agents; Sulfonamides; Alimentary Tract and Metabolism; Aminosalicylic Acid and Similar Agents; Intestinal Antiinflammatory Agents; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; | For the treatment of Crohn's disease and rheumatoid arthritis as a second-line agent. |
| FDBD00721 | Diflunisal |
|
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Analgesics; Salicylic Acid and Derivatives; Nervous System; | For symptomatic treatment of mild to moderate pain accompanied by inflammation (e.g. musculoskeletal trauma, post-dental extraction, post-episiotomy), osteoarthritis, and rheumatoid arthritis. |
| FDBD00769 | Repaglinide |
|
Hypoglycemic Agents; Antidiabetic Agents; Meglitinides; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | As an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. |
| FDBD00791 | Salicylic acid |
|
Anti-Inflammatory Agents, Non-Steroidal; Antifungal Agents; Cyclooxygenase Inhibitors; Analgesics; Anti-Infective Agents; Keratolytic Agents; Ophthalmologicals; Sensory Organs; Dermatologicals; Salicylic Acid and Derivatives; Nervous System; Antifungals for Topical Use; Antifungals for Dermatological Use; Antiinflammatory Agents; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; | Key additive in many skin-care products for the treatment of acne, psoriasis, callouses, corns, keratosis pilaris and warts. |
| FDBD00868 | Balsalazide |
|
Anti-Inflammatory Agents, Non-Steroidal; Gastrointestinal Agents; Alimentary Tract and Metabolism; Aminosalicylic Acid and Similar Agents; Intestinal Antiinflammatory Agents; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; | For the treatment of mildly to moderately active ulcerative colitis. |
| FDBD01094 | Olsalazine |
|
Alimentary Tract and Metabolism; Aminosalicylic Acid and Similar Agents; Intestinal Antiinflammatory Agents; Antidiarrheals, Intestinal Anti-Inflammatory/antiinfective Agents; | For the treatment of Inflammatory Bowel Disease and Ulcerative Colitis. |
| FDBD01177 | Magnesium salicylate |
|
Magnesium; | Magnesium salicylate is a common analgesic and non-steroidal anti-inflammatory drug (NSAID) used to treat mild to moderate muscular pain. |
| FDBD01180 | Trisalicylate-choline |
|
; | Choline magnesium trisalicylate is used to reduce pain and inflammation caused by conditions such as arthritis. This medication is also used to treat fever in adults. |
| FDBD02213 | isofenphos |
|
Insecticide | Insecticide |
| FDBD02214 | isofenphos-methyl |
|
Insecticide | Insecticide |
12 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2y7k_ligand_frag_0.mol2 | 2y7k | 1 | -7.43 | C(=O)(O)c1c(cccc1)O | 10 |
| 2y7k_ligand.mol2 | 2y7k | 1 | -7.43 | C(=O)(O)c1c(cccc1)O | 11 |
| 1nf8_ligand_frag_0.mol2 | 1nf8 | 1 | -7.38 | c1(c(cccc1)O)C(=O)O | 10 |
| 2y7p_ligand_frag_0.mol2 | 2y7p | 1 | -7.24 | C(=O)(O)c1c(cccc1)O | 10 |
| 2y7p_ligand.mol2 | 2y7p | 1 | -7.24 | C(=O)(O)c1c(cccc1)O | 11 |
| 2y7w_ligand_frag_0.mol2 | 2y7w | 1 | -7.17 | C(=O)(O)c1c(cccc1)O | 10 |
| 2y7w_ligand.mol2 | 2y7w | 1 | -7.17 | C(=O)(O)c1c(cccc1)O | 11 |
| 2xk4_ligand_1_1.mol2 | 2xk4 | 1 | -6.97 | c1(ccccc1C(=O)O)O | 10 |
| 3gf2_ligand_frag_0.mol2 | 3gf2 | 1 | -6.95 | C(=O)(O)c1c(cccc1)O | 10 |
109 ,
11
