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Compound Detail

CHEMBL1206722

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COc1cc(C/C(C(=O)c2ccc(OC(C)C)c(F)c2)=C(/C(=O)O)c2ccc3nsnc3c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206722
Phase Preclinical
Structure Type MOL
InChI Key PZANLMVVMSPROZ-XHPQRKPJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

566.6
MW (Da)
5.61
ALogP
9
HBA
1
HBD
117.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27FN2O7S
MW 566.61
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine