Odanakatib
{{Drugbox-lat | IUPAC_name = | image = Odanacatib Structural Formulae V.1.svg | width = | alt = | image2 = | width2 = | alt2 = | drug_name = Odanakatib | caption =
| tradename = | Drugs.com = Monografija | MedlinePlus = | licence_EU = | licence_US = | DailyMedID = | pregnancy_AU = | pregnancy_US = | pregnancy_category= | legal_AU = | legal_CA = | legal_UK = | legal_US = | legal_status = | dependency_liability = | routes_of_administration =
| bioavailability = | protein_bound = | metabolism = | elimination_half-life = | excretion =
| CAS_number_Ref = 
| CAS_number = 603139-19-1
| CAS_supplemental =
| ATCvet =
| ATC_prefix = none
| ATC_suffix =
| ATC_supplemental =
| PubChem = 10152654
| PubChemSubstance =
| IUPHAR_ligand =
| DrugBank_Ref =
| DrugBank =
| ChemSpiderID_Ref =
| ChemSpiderID = 8328162
| UNII_Ref =
| UNII = N673F6W2VH
| KEGG_Ref =
| KEGG =
| ChEBI_Ref =
| ChEBI =
| ChEMBL_Ref =
| ChEMBL = 481611
| synonyms = (2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4'-(methanesulfonyl)-[1,1'-biphenyl]-4-yl}ethyl]amino}pentanamide
|C=25 |H=27 |F=4 |N=3 |O=3 |S=1
| molecular_weight = 525,559
| smiles = CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(=O)C)C(F)(F)F)\C(=N\C3(CC3)C#N)\O
| StdInChI = 1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1
| StdInChIKey_Ref =
| StdInChI_comment =
| StdInChIKey = FWIVDMJALNEADT-SFTDATJTSA-N
| StdInChI_Ref =
| density =
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}}
Odanakatib je organsko jedinjenje, koje sadrži 25 atoma ugljenika i ima molekulsku masu od 525,559 Da.
Osobine[уреди | уреди извор]
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 6 |
| Broj donora vodonika | 2 |
| Broj rotacionih veza | 10 |
| Particioni koeficijent[1] (ALogP) | 4,7 |
| Rastvorljivost[2] (logS, log(mol/L)) | -8,9 |
| Polarna površina[3] (PSA, Å2) | 110,9 |
Reference[уреди | уреди извор]
- ^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
- ^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
- ^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.
Literatura[уреди | уреди извор]
- Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
- Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.
