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Compound Detail

CHEMBL2370874

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CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O

Basic Information

ChEMBL ID CHEMBL2370874
Phase Preclinical
Structure Type BOTH
InChI Key SHSUJLMLURFKID-MXTNLQOCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1265.5
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C58H84N14O16S
MW 1265.46

Activity Summary

IC50 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Substance-P receptor
CHEMBL4027
IC50 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Substance-P receptor IC50 = 2.3 nM 8.64 Tested for inhibition of tachykinin 1 (NK1) receptor in rat brain synaptosomal m... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80229-8 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine