Rilpivirine
Antiretroviral drug used in combination with other antiretroviral agents for the treatment of HIV-1 infection. Rilpivirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI) that inhibits HIV-1 replication by interfering with viral reverse transcriptase activity
CAS Number: 500287-72-9
Molecular Mass: 366.42 g/mol
Formula: C22H18N6
Smiles: N#CC=CC=1C=C(C(NC2=NC(=NC=C2)NC3=CC=C(C#N)C=C3)=C(C1)C)C
Synonymes:
Rilpivirine, Benzonitrile, 4-[[4-[[4-[(1E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]-, 4-[[4-[[4-[(1E)-2-Cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile, Rilpivirine, R 278474, TMC 278, Rekambys
Bioactivity: HIV-1 non-nucleoside reverse transcriptase inhibitor (NNRTI); antiretroviral agent
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 888.7760 |
| PMI2 | 9604.8999 |
| PMI3 | 9973.7622 |
| NPR1 | 0.0891 |
| NPR2 | 0.9630 |
| RadiusOfGyration | 5.2847 |
| InertialShapeFactor | 0.0011 |
| Eccentricity | 0.9960 |
| Asphericity | 0.7574 |
| SpherocityIndex | 0.1425 |
| PBF | 0.9730 |