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Compound Detail

CHEMBL3782113

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N[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc(N3CCOCC3)c(NC(=O)OCc3ccccc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3782113
Phase Preclinical
Structure Type MOL
InChI Key VQXSHYNCIQFRBL-BJKOFHAPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
4.34
ALogP
6
HBA
3
HBD
105.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N4O4
MW 486.57
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine