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Compound Detail

CHEMBL113858

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CC(CCc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(C(=O)N(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113858
Phase Preclinical
Structure Type MOL
InChI Key VGHUGWWPTIFURX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
2.47
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O5
MW 400.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine