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Compound Detail

CHEMBL1206716

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COc1ccc(C(=O)/C(Cc2ccc(OC)c(F)c2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1206716
Phase Preclinical
Structure Type MOL
InChI Key WPTYOJVFRZMDBQ-NKFKGCMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.5
MW (Da)
4.81
ALogP
7
HBA
1
HBD
98.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19FN2O5S
MW 478.50
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine