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Compound Detail

CHEMBL4587259

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CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587259
Phase Preclinical
Structure Type MOL
InChI Key WYTWNUZRDIDXCJ-CQJMVLFOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

651.8
MW (Da)
-0.57
ALogP
7
HBA
10
HBD
265.9
PSA (Ų)
0.05
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H45N11O5
MW 651.77
Aromatic Rings 3
Heavy Atoms 47
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
32184956 10.1021/acsmedchemlett.9b00198 Melanocyte-stimulating hormone receptor 1
32184956 10.1021/acsmedchemlett.9b00198 Melanocortin receptor 3 1
32184956 10.1021/acsmedchemlett.9b00198 Melanocortin receptor 4 1
32184956 10.1021/acsmedchemlett.9b00198 Melanocortin receptor 5 1

Data from ChEMBL 36 via Core Engine