Common name
BLAH
IUPAC name
BLAH
SMILES
S(=O)O
Common name
BLAH
IUPAC name
BLAH
SMILES
S(=O)O
INCHI
InChI=1S/HO2S/c1-3-2/h(H,1,2)
FORMULA
HO2S
Common name
BLAH
IUPAC name
BLAH
Molecular weight
66.080
clogP
-2.569
clogS
0.833
Frequency
0.0244
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
37.3
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01270 | Pipotiazine |
|
Antipsychotic Agents; Phenothiazines; Nervous System; Psycholeptics; Phenothiazines With Piperidine Structure; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the maintenance treatment of chronic non-agitated schizophrenic patients. |
| FDBD01271 | Thioproperazine |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Phenothiazines; Nervous System; Psycholeptics; Phenothiazines With Piperazine Structure; | For the treatment of all types of acute and chronic schizophrenia, including those which did not respond to the usual neuroleptics; manic syndromes. |
| FDBD01272 | Thiothixene |
|
Antipsychotic Agents; Dopamine Antagonists; Thioxanthenes; Nervous System; Psycholeptics; Thioxanthene Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the management of schizophrenia. |
| FDBD01281 | Dalfopristin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Streptogramins; CYP3A4 Inhibitors; | For the treatment of bacterial infections (usually in combination with quinupristin). |
| FDBD01361 | Silver sulfadiazine |
|
Anti-Bacterial Agents; Anti-Infective Agents, Local; Sulfonamides; Antibiotics, Topical; Dermatologicals; | Indicated as an adjunct for the prevention and treatment of wound sepsis in patients with second- and third-degree burns. |
| FDBD01400 | Udenafil |
|
Genito Urinary System and Sex Hormones; Drugs Used in Erectile Dysfunction; Urological Agents; CYP3A4 Inhibitors; | Investigated for use/treatment in erectile dysfunction and hypertension. |
| FDBD01405 | Amisulpride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; | Investigated for use/treatment in schizophrenia and schizoaffective disorders, mania in bipolar disorder, and depression. |
| FDBD01406 | Simeprevir |
|
Simeprevir is indicated in patient's with hepatitis C virus (HCV) genotype 1 for the treatment of chronic hepatitis as a combination therapy, which includes peginterferon alfa and ribavirin. | |
| FDBD01597 | Dimetotiazine |
|
Analgesics; Nervous System; Antimigraine Preparations; | |
| FDBD01651 | Ceritinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; | Ceritinib is a kinase inhibitor indicated for the treatment of patients with anaplastic lymphoma kinase (ALK)-positive metastatic non-small cell lung cancer (NSCLC) who have progressed on or are intolerant to crizotinib. This indication is approved under accelerated approval based on tumor response rate and duration of response. An improvement in survival or disease-related symptoms has not been established. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials. |
71 ,
8
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2pjt_ligand_frag_4.mol2 | 2pjt | 1 | -5.21 | S(=O)O | 3 |
| 1tqf_ligand_frag_1.mol2 | 1tqf | 1 | -5.15 | S(=O)O | 3 |
| 3b8z_ligand_frag_5.mol2 | 3b8z | 1 | -5.15 | S(=O)O | 3 |
| 3hd3_ligand_frag_0.mol2 | 3hd3 | 1 | -5.15 | O=SO | 3 |
| 2i47_ligand_frag_4.mol2 | 2i47 | 1 | -5.14 | S(=O)O | 3 |
| 2viy_ligand_frag_8.mol2 | 2viy | 1 | -5.14 | S(=O)O | 3 |
| 3b92_ligand_frag_4.mol2 | 3b92 | 1 | -5.13 | O=SO | 3 |
| 966c_ligand_frag_3.mol2 | 966c | 1 | -5.12 | S(=O)O | 3 |
| 2hh5_ligand_frag_0.mol2 | 2hh5 | 1 | -5.11 | OS=O | 3 |
143 ,
15
