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Compound Detail

CHEMBL1789706

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COc1ccccc1CNC(=O)c1nc(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC(=O)O)c1C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789706
Phase Preclinical
Structure Type MOL
InChI Key SOEKQCPJQWCKDC-FGZHOGPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

525.6
MW (Da)
3.48
ALogP
7
HBA
4
HBD
133.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32FN3O6
MW 525.58
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine