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Compound Detail

CHEMBL112216

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CC(C)NC(=O)c1cc(C(O)CNC(C)CCc2ccc3c(c2)OCO3)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112216
Phase Preclinical
Structure Type MOL
InChI Key SJJYEXTXIRCXTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
2.90
ALogP
6
HBA
4
HBD
100.0
PSA (Ų)
0.50
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 C23H30N2O5
MW 414.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine