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Compound Detail

CHEMBL508644

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

Basic Information

ChEMBL ID CHEMBL508644
Phase Preclinical
Structure Type BOTH
InChI Key BKCYQIATYVKSND-DTIGPWBMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1476.7
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C67H101N19O19
MW 1476.66

Activity Summary

Kd 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ephrin type-B receptor 2
CHEMBL3290
Kd 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ephrin type-B receptor 2 Kd = 6000.0 nM 5.22 Binding affinity at human EphB2 receptor by isothermal titration calorimetry 17897949

Literature References

PubMed DOI Target Context # Activities
17897949 10.1074/jbc.m706340200 Ephrin type-B receptor 2 1

Data from ChEMBL 36 via Core Engine