Structure

InChI Key SCTJKHUUZLXJIP-RUZDIDTESA-N
Smile CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21
InChI
InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H52N5O5P
Molecular Weight 569.73
AlogP 6.86
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 25.0
Polar Surface Area 134.61
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 reverse transcriptase inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Communicable Diseases 2 D003141 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL515564
DrugBank DB14925
FDA SRS K7J545MEMA
PubChem 23628250
SureChEMBL SCHEMBL2299893
ZINC ZINC000042875215