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Compound Detail

CHEMBL444806

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COc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL444806
Phase Preclinical
Structure Type MOL
InChI Key PEHVEOPLWVVLAE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.05
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N2O4
MW 348.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.89

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
11606139 10.1021/jm010001h Unchecked 4

Data from ChEMBL 36 via Core Engine