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Compound Detail

CHEMBL1971127

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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](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)n1

Basic Information

ChEMBL ID CHEMBL1971127
Phase Preclinical
Structure Type MOL
InChI Key UIZOYKBALIHNJF-MODPYIGGSA-N
9
Targets
10
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

1301.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C68H120N18O7
MW 1301.83

Activity Summary

IC50 6 meas. best 5.38
EC50 4 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus sp. 'group A'
CHEMBL612389
EC50 5.54 5.54 2861.0 1
HEK293
CHEMBL614818
IC50 5.38 5.38 4186.0 1
Streptokinase A
CHEMBL1293228
EC50 5.29 5.075 5159.0 2
CHO
CHEMBL613853
IC50 5.25 5.25 5632.0 1
Toll-like receptor 9
CHEMBL5804
IC50 5.18 5.18 6588.0 1
Beta Lactamase
CHEMBL1293246
IC50 5.15 5.15 7102.0 1
Insulin-degrading enzyme
CHEMBL1293287
EC50 5.01 5.01 9708.0 1
26S proteasome non-ATPase regulatory subunit 14
CHEMBL2007629
IC50 4.79 4.79 16200.0 1
Prothrombin
CHEMBL4471
IC50 4.61 4.61 24500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine