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Compound Detail

CHEMBL2079415

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COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccc(OC)cc4)CC[C@H]3O)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079415
Phase Preclinical
Structure Type MOL
InChI Key FQRQEVYQICGIQQ-DNQXCXABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
2.87
ALogP
6
HBA
1
HBD
79.3
PSA (Ų)
0.68
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 C26H32N2O5
MW 452.55
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine