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Compound Detail

CHEMBL1984581

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C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n3cc(CCCSC)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 CHEMBL1984581
Phase Preclinical
Structure Type MOL
InChI Key UINMUNMSVHZTGM-FGZCRSDWSA-N
7
Targets
9
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

1306.8
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C64H111N19O8S
MW 1306.78

Activity Summary

IC50 6 meas. best 5.7
EC50 3 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
IC50 5.7 5.7 1987.0 1
Bcl-2-related protein A1
CHEMBL1293239
IC50 5.63 5.63 2330.0 1
Ubiquitin-conjugating enzyme E2 N
CHEMBL6089
IC50 5.57 5.475 2680.0 2
Insulin-degrading enzyme
CHEMBL1293287
EC50 5.54 5.4 2853.0 2
Unchecked
CHEMBL612545
EC50 5.04 5.04 9010.0 1
Intestinal-type alkaline phosphatase
CHEMBL3151
IC50 4.94 4.94 11500.0 1
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
IC50 4.49 4.49 32300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine