Dovitinib lactate hydrateProduct ingredient for Dovitinib
- Name
- Dovitinib lactate hydrate
- Drug Entry
- Dovitinib
Dovitinib is an orally active small molecule that exhibits potent inhibitory activity against multiple RTKs involved in tumor growth and angiogenesis. Preclinical data show that dovitinib works to inhibit multiple kinases associated with different cancers, including acute myeloid leukemia (AML) and multiple myeloma. Chiron currently has three ongoing Phase I clinical trials for dovitinib.
- Accession Number
- DBSALT002512
- Structure
Structure for Dovitinib lactate hydrate (DBSALT002512)
- Synonyms
- Dovitinib lactate
- UNII
- 69VKY8P7EA
- CAS Number
- 915769-50-5
- Weight
- Average: 500.531
Monoisotopic: 500.218346221 - Chemical Formula
- C24H29FN6O5
- InChI Key
- QDPVYZNVVQQULH-TYOUJGAFSA-N
- InChI
- InChI=1S/C21H21FN6O.C3H6O3.H2O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29;1-2(4)3(5)6;/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29);2,4H,1H3,(H,5,6);1H2/t;2-;/m.0./s1
- IUPAC Name
- (2S)-2-hydroxypropanoic acid 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydroquinolin-2-one hydrate
- SMILES
- O.C[C@H](O)C(O)=O.CN1CCN(CC1)C1=CC=C2N=C(NC2=C1)C1=C(N)C2=C(NC1=O)C=CC=C2F
- External Links
- ChemSpider
- 28529470
- ChEMBL
- CHEMBL2103806
- Predicted Properties
Property Value Source Water Solubility 0.137 mg/mL ALOGPS logP 2.34 ALOGPS logP 1.35 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 8.56 Chemaxon pKa (Strongest Basic) 7.87 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 90.28 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 112.36 m3·mol-1 Chemaxon Polarizability 42.5 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon