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Compound Detail

CHEMBL3669185

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COc1cc(C(=O)N(C)CCN(C)C(=O)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3669185
Phase Preclinical
Structure Type MOL
InChI Key OROSLRADDKTVLM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
1.98
ALogP
8
HBA
2
HBD
118.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O8
MW 448.47
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.28

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine