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Compound Detail

CHEMBL493746

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COc1ccc(-c2nc3ccc(NCc4cccc(C(=O)O)c4)nc3n(CCNC(C)=O)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493746
Phase Preclinical
Structure Type MOL
InChI Key MDTSYUAYCLOPKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.5
MW (Da)
2.91
ALogP
8
HBA
3
HBD
135.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N5O5
MW 487.52
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
19249203 10.1016/j.bmcl.2009.02.019 Unchecked 1
19249203 10.1016/j.bmcl.2009.02.019 Stearoyl-CoA desaturase 1

Data from ChEMBL 36 via Core Engine