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Compound Detail

CHEMBL3893144

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O=C(/C=C/c1ccc(O)cc1)C(C(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3893144
Phase Preclinical
Structure Type MOL
InChI Key ZPZMHBPRQOJARQ-OTYYAQKOSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
4.22
ALogP
5
HBA
3
HBD
103.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21NO5
MW 427.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.12

Activity Summary

IC50 3 meas.

Data from ChEMBL 36 via Core Engine