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Compound Detail

CHEMBL130615

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O=C(Nc1ccccc1C(=O)O)c1ccc(COc2ccc3ccccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL130615
Phase Preclinical
Structure Type MOL
InChI Key QQYJPVLTXFQSIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
5.37
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19NO4
MW 397.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
9046329 10.1021/jm9605041 ADMET 4
9046329 10.1021/jm9605041 RBL-1 1
9046329 10.1021/jm9605041 Homo sapiens 1

Data from ChEMBL 36 via Core Engine