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Compound Detail

CHEMBL4092849

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CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092849
Phase Preclinical
Structure Type MOL
InChI Key ICYGAGYCWIIAPT-QSJDGAHRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

934.9
MW (Da)
4.36
ALogP
6
HBA
8
HBD
221.4
PSA (Ų)
0.02
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H51IN8O5
MW 934.88
Aromatic Rings 5
Heavy Atoms 61
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
28453292 10.1021/acs.jmedchem.7b00301 Melanocortin receptor 3 3
28453292 10.1021/acs.jmedchem.7b00301 Melanocortin receptor 4 2
28453292 10.1021/acs.jmedchem.7b00301 Melanocyte-stimulating hormone receptor 2
28453292 10.1021/acs.jmedchem.7b00301 Melanocortin receptor 5 2

Data from ChEMBL 36 via Core Engine