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Compound Detail

CHEMBL3578002

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C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O

Basic Information

ChEMBL ID CHEMBL3578002
Phase Preclinical
Structure Type BOTH
InChI Key LEINZPSRJVPKBF-BYOCBYEMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1730.0
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C80H108N22O18S2
MW 1730.01

Activity Summary

Kd 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 3
CHEMBL4774
Kd 6.1 6.1 794.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocortin receptor 3 Kd = 794.33 nM 6.1 Displacement of MTII from mouse MC3R expressed in HEK293 cells 25898270

Literature References

PubMed DOI Target Context # Activities
25898270 10.1021/acs.jmedchem.5b00184 Melanocortin receptor 3 1

Data from ChEMBL 36 via Core Engine