TELINAVIR

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII IZF55EH3CG

Structure

InChI Key ZILOOGIOHVCEKS-HZFUHODCSA-N
Smiles CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C
InChI
InChI=1S/C33H44N6O5/c1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H44N6O5
Molecular Weight 604.75
AlogP 2.76
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 13.0
Polar Surface Area 166.75
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 44.0

Pharmacology

Mechanism of Action Action Reference
HIV-1 protease inhibitor INHIBITOR Other PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily
- 6 - - -
Enzyme Protease Cysteine protease Cysteine protease PAC clan Cysteine protease C3A subfamily
21 6.3 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Human immunodeficiency virus 1
21 6.3 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL322241
DrugBank DB12178
FDA SRS IZF55EH3CG
PubChem 382974
SureChEMBL SCHEMBL623164
CONTENTS