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Compound Detail

CHEMBL4296716

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CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2SCCN2C(=O)[C@H](Cc2cnc[nH]2)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4296716
Phase Preclinical
Structure Type MOL
InChI Key FKMCOZWXYUHFMO-BAAZWYGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

933.1
MW (Da)
-0.62
ALogP
11
HBA
9
HBD
302.8
PSA (Ų)
0.12
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H60N12O9S
MW 933.11
Aromatic Rings 3
Heavy Atoms 66
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
17455928 10.1021/jm0614275 Melanocyte-stimulating hormone receptor 2
17455928 10.1021/jm0614275 Melanocortin receptor 3 2
17455928 10.1021/jm0614275 Melanocortin receptor 4 2
17455928 10.1021/jm0614275 Melanocortin receptor 5 1

Data from ChEMBL 36 via Core Engine