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Compound Detail

CHEMBL5396157

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CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396157
Phase Preclinical
Structure Type MOL
InChI Key KSJLGIUPLQMQOI-FKWFRFQNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

814.7
MW (Da)
0.80
ALogP
7
HBA
9
HBD
258.7
PSA (Ų)
0.04
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H43IN8O7
MW 814.68
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
37307241 10.1021/acs.jmedchem.3c00432 Melanocyte-stimulating hormone receptor 2
37307241 10.1021/acs.jmedchem.3c00432 Melanocortin receptor 3 2
37307241 10.1021/acs.jmedchem.3c00432 Melanocortin receptor 4 2
37307241 10.1021/acs.jmedchem.3c00432 Melanocortin receptor 5 2

Data from ChEMBL 36 via Core Engine