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Compound Detail

CHEMBL4762178

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C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CN(Cc2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4762178
Phase Preclinical
Structure Type MOL
InChI Key NYCVECHDUDQVRT-NETOACFBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

977.1
MW (Da)
-0.92
ALogP
10
HBA
9
HBD
311.4
PSA (Ų)
0.06
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H64N12O9
MW 977.14
Aromatic Rings 3
Heavy Atoms 71
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
33062177 10.1021/acsmedchemlett.9b00641 Melanocortin receptor 3 2
33062177 10.1021/acsmedchemlett.9b00641 Melanocortin receptor 4 2
33062177 10.1021/acsmedchemlett.9b00641 Melanocyte-stimulating hormone receptor 1
33062177 10.1021/acsmedchemlett.9b00641 Melanocortin receptor 5 1

Data from ChEMBL 36 via Core Engine