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Compound Detail

CHEMBL525781

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CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL525781
Phase Preclinical
Structure Type BOTH
InChI Key ZPBBRCQSQDYDSV-FVYZORJTSA-N
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

3738.2
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C168H266N42O54
MW 3738.22

Activity Summary

EC50 8 meas. best 9.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 EC50 9.34 8.4913 0.5 8

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 EC50 = 0.46 nM 9.34 Antiviral activity against HIV1 in human 293T cells assessed as inhibition of vi... 18819810
Human immunodeficiency virus 1 EC50 = 1.9 nM 8.72 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 2.4 nM 8.62 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 2.7 nM 8.57 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 3.0 nM 8.52 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 3.4 nM 8.47 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 4.1 nM 8.39 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674
Human immunodeficiency virus 1 EC50 = 50.0 nM 7.3 Antiviral activity against enfuvirtide-resistant Human immunodeficiency virus 1 ... 19114674

Literature References

PubMed DOI Target Context # Activities
19114674 10.1128/aac.01211-08 Human immunodeficiency virus 1 15
18819810 10.1016/j.bmc.2008.09.018 Human immunodeficiency virus 1 1
18819810 10.1016/j.bmc.2008.09.018 Unchecked 1

Data from ChEMBL 36 via Core Engine