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Compound Detail

CHEMBL66066

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CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL66066
Phase Preclinical
Structure Type BOTH
InChI Key LUCUFURZWPZEOH-SMIHKQSGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

548.6
MW (Da)
-0.03
ALogP
5
HBA
7
HBD
210.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36N8O4
MW 548.65
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
9216831 10.1021/jm960840h MCR 1
9216831 10.1021/jm960840h Melanocyte-stimulating hormone receptor 1
9216831 10.1021/jm960840h Melanocortin receptor 3 1
9216831 10.1021/jm960840h Melanocortin receptor 4 1
9216831 10.1021/jm960840h Melanocortin receptor 5 1

Data from ChEMBL 36 via Core Engine