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Compound Detail

CHEMBL114920

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COc1ccc(C(O)CNC(C)CCc2ccc3c(c2)OCO3)cc1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114920
Phase Preclinical
Structure Type MOL
InChI Key XYORPFAZUCCVPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
2.17
ALogP
6
HBA
3
HBD
103.0
PSA (Ų)
0.61
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 C21H26N2O5
MW 386.45
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine