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Compound Detail

CHEMBL3735690

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CCCCC(NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3735690
Phase Preclinical
Structure Type MOL
InChI Key JDKLPDJLXHXHNV-XMWYYVGNSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1024.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C50H69N15O9
MW 1024.20

Activity Summary

EC50 8 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocyte-stimulating hormone receptor
CHEMBL4077
 EC50 10.3 10.26 0.1 2
Melanocortin receptor 5
CHEMBL4489
 EC50 9.92 9.885 0.1 2
Melanocortin receptor 4
CHEMBL3719
 EC50 9.85 9.835 0.1 2
Melanocortin receptor 3
CHEMBL4774
 EC50 9.82 9.78 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocyte-stimulating hormone receptor EC50 = 0.05 nM 10.3 Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 2 hrs by ... 26555357
Melanocyte-stimulating hormone receptor EC50 = 0.06 nM 10.22 Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 2 hrs by ... 26555357
Melanocortin receptor 5 EC50 = 0.12 nM 9.92 Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 2 hrs by ... 26555357
Melanocortin receptor 4 EC50 = 0.14 nM 9.85 Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 2 hrs by ... 26555357
Melanocortin receptor 5 EC50 = 0.14 nM 9.85 Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 2 hrs by ... 26555357
Melanocortin receptor 3 EC50 = 0.15 nM 9.82 Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 2 hrs by ... 26555357
Melanocortin receptor 4 EC50 = 0.15 nM 9.82 Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 2 hrs by ... 26555357
Melanocortin receptor 3 EC50 = 0.18 nM 9.74 Agonist activity at mouse MC3 receptor expressed in HEK293 cells after 2 hrs by ... 26555357

Literature References

PubMed DOI Target Context # Activities
26555357 10.1016/j.bmcl.2015.10.095 Melanocyte-stimulating hormone receptor 2
26555357 10.1016/j.bmcl.2015.10.095 Melanocortin receptor 3 2
26555357 10.1016/j.bmcl.2015.10.095 Melanocortin receptor 4 2
26555357 10.1016/j.bmcl.2015.10.095 Melanocortin receptor 5 2

Data from ChEMBL 36 via Core Engine