Golvatinib TartrateProduct ingredient for Golvatinib

Name
Golvatinib Tartrate
Drug Entry
Golvatinib

Golvatinib has been investigated for the treatment of Platinum-Resistant Squamous Cell Carcinoma of the Head and Neck.

Accession Number
DBSALT002115
Structure
Synonyms
Not Available
UNII
47S9L68C0N
CAS Number
1007601-96-8
Weight
Average: 783.787
Monoisotopic: 783.303946939
Chemical Formula
C37H43F2N7O10
InChI Key
JYFKDBFPRXMUAM-LREBCSMRSA-N
InChI
InChI=1S/C33H37F2N7O4.C4H6O6/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23;5-1(3(7)8)2(6)4(9)10/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid; N'1-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-N1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCN(CC1)C1CCN(CC1)C(=O)NC1=CC(OC2=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C(F)=C2)=CC=N1
ChemSpider
30790729
Predicted Properties
PropertyValueSource
Water Solubility0.0403 mg/mLALOGPS
logP3.19ALOGPS
logP3.56Chemaxon
logS-4.2ALOGPS
pKa (Strongest Acidic)11.38Chemaxon
pKa (Strongest Basic)8.26Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area119.14 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity172.48 m3·mol-1Chemaxon
Polarizability64.23 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon