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Compound Detail

CHEMBL1207331

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CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207331
Phase Preclinical
Structure Type MOL
InChI Key PNRWKVJLHGHICL-KAYWLYCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

558.6
MW (Da)
6.31
ALogP
5
HBA
4
HBD
111.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H35FN2O5
MW 558.65
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine