Vicriviroc MaleateProduct ingredient for Vicriviroc

Name

Vicriviroc Maleate

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.

See full entry for Vicriviroc

Accession Number

DBSALT002032

Structure

Similar Structures

Synonyms

Not Available

UNII

EP3QG127N9

CAS Number

599179-03-0

Weight

Average: 649.712
Monoisotopic: 649.308718581

Chemical Formula

C₃₂H₄₂F₃N₅O₆

InChI Key

GXINKQQWHLIBJA-UCIBKFKQSA-N

InChI

InChI=1S/C28H38F3N5O2.C4H4O4/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;5-3(6)1-2-4(7)8/h6-9,18-19,24H,10-17H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24-;/m0./s1

IUPAC Name

(2Z)-but-2-enedioic acid; 5-{4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidine-1-carbonyl}-4,6-dimethylpyrimidine

SMILES

OC(=O)\C=C/C(O)=O.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: 4953644
ChEMBL: CHEMBL2107384

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	9	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

Vicriviroc MaleateProduct ingredient for Vicriviroc

Structure for Vicriviroc Maleate (DBSALT002032)