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Compound Detail

CHEMBL1178313

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NC[C@H]1O[C@@H](O[C@@H](CNCc2ccc(OC(F)(F)F)cc2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178313
Phase Preclinical
Structure Type MOL
InChI Key UYIKJUMNMVZNKX-XKXSSWDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

562.5
MW (Da)
-1.34
ALogP
12
HBA
6
HBD
190.5
PSA (Ų)
0.20
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29F3N4O9
MW 562.50
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.64

Data from ChEMBL 36 via Core Engine