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Compound Detail

CHEMBL3986240

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CCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CCC(C)C)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

Basic Information

ChEMBL ID CHEMBL3986240
Phase Preclinical
Structure Type MOL
InChI Key QVEPRBJNVGAKBC-LERQKOLHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1090.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H91N17O10
MW 1090.39

Activity Summary

Kd 1 meas. best 5.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 5.74 5.74 1840.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 1840.0 nM 5.74 Binding affinity to human His6-tagged SETD8 (192 to 352 residues) C302S mutant i... 27994746

Literature References

PubMed DOI Target Context # Activities
27994746 10.1021/acsmedchemlett.6b00303 N-lysine methyltransferase KMT5A 1
27994746 10.1021/acsmedchemlett.6b00303 Unchecked 1

Data from ChEMBL 36 via Core Engine