Vicriviroc HydrochlorideProduct ingredient for Vicriviroc
- Name
- Vicriviroc Hydrochloride
- Drug Entry
- Vicriviroc
Vicriviroc, also known as SCH 417690 and SCH-D, is currently in clinical trials for the management of HIV-1. This pyrimidine based drug inhibits the interaction of HIV-1 with CCR5, preventing viral entry into cells. This drug was developed by Schering-Plough.
- Accession Number
- DBSALT002033
- Structure
Structure for Vicriviroc Hydrochloride (DBSALT002033)
- Synonyms
- Not Available
- UNII
- 25SS1WQB7W
- CAS Number
- 541503-48-4
- Weight
- Average: 570.1
Monoisotopic: 569.2744377 - Chemical Formula
- C28H39ClF3N5O2
- InChI Key
- ULGCLTGMZKAFMX-RIAYWLAYSA-N
- InChI
- InChI=1S/C28H38F3N5O2.ClH/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3;/h6-9,18-19,24H,10-17H2,1-5H3;1H/t19-,24-;/m0./s1
- IUPAC Name
- 5-{4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carbonyl}-4,6-dimethylpyrimidine hydrochloride
- SMILES
- Cl.COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C)C1=CC=C(C=C1)C(F)(F)F
- External Links
- ChemSpider
- 8304514
- Predicted Properties
Property Value Source Water Solubility 0.0362 mg/mL ALOGPS logP 3.29 ALOGPS logP 2.8 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 8.44 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 61.8 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 142.64 m3·mol-1 Chemaxon Polarizability 56.15 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon