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Compound Detail

CHEMBL5028807

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COc1cc(CCC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028807
Phase Preclinical
Structure Type MOL
InChI Key IRDUUMRIVGNHRQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
2.90
ALogP
7
HBA
4
HBD
113.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O6
MW 442.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.41

Data from ChEMBL 36 via Core Engine