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Compound Detail

CHEMBL3669188

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COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(O)c(OC)c3)CC2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3669188
Phase Preclinical
Structure Type MOL
InChI Key BPARWDJFFGMFDM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
1.73
ALogP
8
HBA
2
HBD
118.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O8
MW 446.46
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.28

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine