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Compound Detail

CHEMBL4804017

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CN(C)CCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCC(=O)NO)cc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804017
Phase Preclinical
Structure Type MOL
InChI Key MVVFMQBQTUASSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
3.55
ALogP
8
HBA
3
HBD
121.5
PSA (Ų)
0.21
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2O7
MW 470.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.27

Data from ChEMBL 36 via Core Engine