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Compound Detail

CHEMBL246062

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O=C(O)CNc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)n2CC(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246062
Phase Preclinical
Structure Type MOL
InChI Key MJELHVVNAHMRDK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
6.13
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H25N3O4
MW 503.56
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
17502136 10.1016/j.bmcl.2006.12.044 Fatty acid-binding protein, adipocyte 1
17502136 10.1016/j.bmcl.2006.12.044 Fatty acid-binding protein 5 1
17502136 10.1016/j.bmcl.2006.12.044 Fatty acid-binding protein, heart 1

Data from ChEMBL 36 via Core Engine