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Compound Detail

CHEMBL1986183

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C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCN=C(N)N)n3cc(C[C@@H](C)CC)nn3)CC2)n1

Basic Information

ChEMBL ID CHEMBL1986183
Phase Preclinical
Structure Type MOL
InChI Key LYRQXMBEIYRENP-DPVPKUKKSA-N
4
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

1329.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C68H120N20O7
MW 1329.84

Activity Summary

IC50 10 meas. best 5.84
EC50 2 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin-conjugating enzyme E2 N
CHEMBL6089
IC50 5.84 5.77 1445.0 2
HEK293
CHEMBL614818
IC50 5.66 5.66 2168.0 1
Unchecked
CHEMBL612545
EC50 5.41 5.345 3880.0 2
Bcl-2-related protein A1
CHEMBL1293239
IC50 5.34 5.34 4600.0 1
Unchecked
CHEMBL612545
IC50 4.48 4.2125 33300.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine