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Compound Detail

CHEMBL5221423

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COc1cc(OC)c(C2NCCc3c2[nH]c2ccc(O)cc32)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221423
Phase Preclinical
Structure Type MOL
InChI Key QNXLEGWCYHBGBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.13
ALogP
5
HBA
3
HBD
75.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O4
MW 354.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.66

Data from ChEMBL 36 via Core Engine