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Compound Detail

CHEMBL227587

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CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227587
Phase Preclinical
Structure Type BOTH
InChI Key QLYJDJQUJRZDBS-FVMQRRFMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

995.1
MW (Da)
0.25
ALogP
11
HBA
10
HBD
323.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H66N12O10
MW 995.15
Aromatic Rings 4
Heavy Atoms 72
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
17455928 10.1021/jm0614275 Melanocyte-stimulating hormone receptor 2
17455928 10.1021/jm0614275 Melanocortin receptor 3 2
17455928 10.1021/jm0614275 Melanocortin receptor 4 2
17455928 10.1021/jm0614275 Melanocortin receptor 5 2

Data from ChEMBL 36 via Core Engine