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Compound Detail

CHEMBL3578201

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O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCN(Cc1ccc(Br)cc1)C(=O)c1ccc(N2CCN(c3ccc(N4CCN(C(=O)c5ccc(C(=O)O)c(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c5)CC4)cc3)CC2)nc1)C(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL3578201
Phase Preclinical
Structure Type MOL
InChI Key HNPUHOJFAXMPAU-GTMCEHENSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1196.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C60H59BrN8O14
MW 1196.08

Activity Summary

Ki 2 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 16.0 nM 7.8 Inhibition of antiTEV-tagged GCP3 extracellular portion (aa 36-740) (unknown ori... 25923815

Literature References

PubMed DOI Target Context # Activities
25923815 10.1021/acs.jmedchem.5b00278 Glutamate carboxypeptidase 2 3
25923815 10.1021/acs.jmedchem.5b00278 Unchecked 3

Data from ChEMBL 36 via Core Engine