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Compound Detail

CHEMBL407100

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C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc2cnccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

Basic Information

ChEMBL ID CHEMBL407100
Phase Preclinical
Structure Type BOTH
InChI Key YWPNIOSLIKFMAB-LLFYXWHPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1205.4
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H80N22O13S
MW 1205.38

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP-dependent protein kinase (PKA)
CHEMBL2094138
IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cAMP-dependent protein kinase (PKA) IC50 = 1200.0 nM 5.92 Inhibition of cAMP-dependent protein kinase (PKA). 1992155

Literature References

PubMed DOI Target Context # Activities
1992155 10.1021/jm00105a012 Protein kinase C (PKC) 1
1992155 10.1021/jm00105a012 cAMP-dependent protein kinase (PKA) 1

Data from ChEMBL 36 via Core Engine