Atevirdine MesylateProduct ingredient for Atevirdine

Name
Atevirdine Mesylate
Drug Entry
Atevirdine

Atevirdine has been used in trials studying the treatment of HIV Infections.

Accession Number
DBSALT002166
Structure
Thumb
Synonyms
Not Available
UNII
A948D8673W
CAS Number
138540-32-6
Weight
Average: 475.56
Monoisotopic: 475.188940228
Chemical Formula
C22H29N5O5S
InChI Key
HKPKBPALSLUFFM-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N5O2.CH4O3S/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19;1-5(2,3)4/h4-8,13-14,22,24H,3,9-12H2,1-2H3;1H3,(H,2,3,4)
IUPAC Name
N-ethyl-2-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]pyridin-3-amine; methanesulfonic acid
SMILES
CS(O)(=O)=O.CCNC1=CC=CN=C1N1CCN(CC1)C(=O)C1=CC2=CC(OC)=CC=C2N1
ChemSpider
54834
ChEMBL
CHEMBL7264
Predicted Properties
PropertyValueSource
Water Solubility0.0382 mg/mLALOGPS
logP2.93ALOGPS
logP2.08ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)14.5ChemAxon
pKa (Strongest Basic)6.88ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area73.49 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity112 m3·mol-1ChemAxon
Polarizability42.93 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon