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Compound Detail

CHEMBL437913

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CCCCCCCCCCCCCC(=O)NCC(NC(=O)CCCCCCCCCCCCC)C(=O)NCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL437913
Phase Preclinical
Structure Type MOL
InChI Key HGFGVSSNJAGVSB-LCNOQGBISA-N
1
Targets
10
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1763.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C82H135N15O25S
MW 1763.13

Activity Summary

IC50 10 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Liposome
CHEMBL614676
 IC50 6.47 5.935 340.0 10

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Liposome IC50 = 340.0 nM 6.47 Inhibition of fertilization by fertilin beta peptide (0.5 mol%) with 40 nm lipos... 15006366
Liposome IC50 = 500.0 nM 6.3 Inhibition of fertilization by fertilin beta peptide (0.5 mol%) with 40 nm lipos... 15006366
Liposome IC50 = 500.0 nM 6.3 Inhibition of fertilization by fertilin beta peptide (0.1 mol%) with 40 nm lipos... 15006366
Liposome IC50 = 500.0 nM 6.3 Inhibition of fertilization by fertilin beta peptide (0.1 mol%) with 40 nm lipos... 15006366
Liposome IC50 = 750.0 nM 6.12 Inhibition of fertilization by fertilin beta peptide (0.5 mol%) with 400 nm lipo... 15006366
Liposome IC50 = 920.0 nM 6.04 Inhibition of fertilization by fertilin beta peptide (0.5 mol%) with 400 nm lipo... 15006366
Liposome IC50 = 2400.0 nM 5.62 Inhibition of fertilization by fertilin beta peptide (1 mol%) with 40 nm liposom... 15006366
Liposome IC50 = 2500.0 nM 5.6 Inhibition of fertilization by fertilin beta peptide (1 mol%) with 40 nm liposom... 15006366
Liposome IC50 = 5000.0 nM 5.3 Inhibition of fertilization by fertilin beta peptide (5 mol%) with 40 nm liposom... 15006366
Liposome IC50 = 5000.0 nM 5.3 Inhibition of fertilization by fertilin beta peptide (5 mol%) with 40 nm liposom... 15006366

Literature References

PubMed DOI Target Context # Activities
15006366 10.1016/j.bmcl.2003.09.097 Liposome 24

Data from ChEMBL 36 via Core Engine