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
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
ChemSpider
28529470
ChEMBL
CHEMBL2103806
Predicted Properties
PropertyValueSource
Water Solubility0.137 mg/mLALOGPS
logP2.34ALOGPS
logP1.35Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)8.56Chemaxon
pKa (Strongest Basic)7.87Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area90.28 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity112.36 m3·mol-1Chemaxon
Polarizability42.5 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon