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Compound Detail

CHEMBL1192764

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COc1cc(-c2c(C(=O)O)n(-c3ccc(N)cc3)c(=O)c3cc(OCc4ccccn4)ccc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1192764
Phase Preclinical
Structure Type MOL
InChI Key ZUVPTUUOKZXGAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

553.6
MW (Da)
4.94
ALogP
9
HBA
2
HBD
135.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H27N3O7
MW 553.57
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine