Common name
1-methylindazole
IUPAC name
1-methylindazole
SMILES
n1n(c2c(c1)cccc2)C
Common name
1-methylindazole
IUPAC name
1-methylindazole
SMILES
n1n(c2c(c1)cccc2)C
INCHI
InChI=1S/C8H8N2/c1-10-8-5-3-2-4-7(8)6-9-10/h2-6H,1H3
FORMULA
C8H8N2
Common name
1-methylindazole
IUPAC name
1-methylindazole
Molecular weight
133.170
clogP
0.343
clogS
-1.685
Frequency
0.0007
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
19.67
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00748 | Granisetron |
|
Serotonin Antagonists; Antiemetics; Alimentary Tract and Metabolism; Serotonin (5Ht3) Antagonists; Antiemetics and Antinauseants; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Antiemetics Antagonists; | For the prevention of nausea and vomiting associated with initial and repeat courses of emetogenic cancer therapy (including high dose cisplatin), postoperation, and radiation (including total body irradiation and daily fractionated abdominal radiation). |
| FDBD01667 | Benzydamine |
|
Anti-Inflammatory Agents; Genito Urinary System and Sex Hormones; Alimentary Tract and Metabolism; Musculo-Skeletal System; Stomatological Preparations; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Antiinflammatory Products for Vaginal Administration; |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eev_ligand_frag_2.mol2 | 4eev | 1 | -6.83 | c1c2c[nH][n+](c2ccc1)C | 10 |
| 3bel_ligand_1_1.mol2 | 3bel | 1 | -6.75 | C[n+]1c2c(c[nH]1)cccc2 | 10 |
| 2rgp_ligand_1_1.mol2 | 2rgp | 1 | -6.74 | C[n+]1c2c(c[nH]1)cccc2 | 10 |
| 1h39_ligand_frag_10.mol2 | 1h39 | 1 | -6.72 | c1cc2[n+]([nH]cc2cc1)C | 10 |
| 4eev_ligand_1_4.mol2 | 4eev | 0.928571 | -6.75 | Oc1cc2c[nH][n+](c2cc1)C | 11 |
| 1h39_ligand_1_9.mol2 | 1h39 | 0.906977 | -6.67 | Oc1cc2[n+]([nH]cc2cc1)C | 11 |
| 2rgp_ligand_2_5.mol2 | 2rgp | 0.829787 | -6.69 | C[n+]1c2c(c[nH]1)cc(cc2)N | 11 |
| 3bel_ligand_2_8.mol2 | 3bel | 0.829787 | -6.69 | C[n+]1c2c(c[nH]1)cc(cc2)N | 11 |
100 ,
11
