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Compound Detail

CHEMBL1207361

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COc1cccc(CNC(=O)c2c(-c3ccccc3)c(-c3ccc(F)cc3)c(CC[C@@H](O)C[C@@H](O)CC(=O)O)n2C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207361
Phase Preclinical
Structure Type MOL
InChI Key NZMZYAIECCYZQJ-VSGBNLITSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

602.7
MW (Da)
6.00
ALogP
6
HBA
4
HBD
121.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H39FN2O6
MW 602.70
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.38

Data from ChEMBL 36 via Core Engine