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Compound Detail

CHEMBL2159012

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

Basic Information

ChEMBL ID CHEMBL2159012
Phase Preclinical
Structure Type MOL
InChI Key NSMWIFFOQGJUCP-ZOMBOAMHSA-P
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1149.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C69H72N12O5+2
MW 1149.41

Activity Summary

IC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 7.51 7.51 30.7 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