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Compound Detail

CHEMBL2159008

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NC(=O)[C@H](CCCNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc32)cc1)NC(=O)CCCCCNC(=O)[C@@H](N)CCCNC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc32)cc1

Basic Information

ChEMBL ID CHEMBL2159008
Phase Preclinical
Structure Type MOL
InChI Key CFXNTAQVKSBORV-OBXNHJGZSA-P
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1163.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C70H74N12O5+2
MW 1163.44

Activity Summary

IC50 1 meas. best 8.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 8.31 8.31 4.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22695131 10.1016/j.bmcl.2012.05.041 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine