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Compound Detail

CHEMBL194819

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O=C(N[C@H](Cc1cscn1)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194819
Phase Preclinical
Structure Type MOL
InChI Key FXAQTNUNDLDIEK-MUUNZHRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

589.8
MW (Da)
4.72
ALogP
8
HBA
2
HBD
86.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H35N5O3S2
MW 589.79
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
15863313 10.1016/j.bmcl.2005.03.053 Melanocortin receptor 4 1

Data from ChEMBL 36 via Core Engine