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Compound Detail

CHEMBL112439

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COC(=O)c1cc(C(O)CNC(C)CCc2ccc3c(c2)OCO3)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112439
Phase Preclinical
Structure Type MOL
InChI Key PVRHUQYRYRENEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
2.85
ALogP
7
HBA
2
HBD
86.2
PSA (Ų)
0.63
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 C22H27NO6
MW 401.46
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine