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Compound Detail

CHEMBL321707

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O=S(=O)(CCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321707
Phase Preclinical
Structure Type MOL
InChI Key WWWQOHIXCJDCML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.6
MW (Da)
4.64
ALogP
7
HBA
2
HBD
108.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27F3N4O4S
MW 548.59
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.38

Data from ChEMBL 36 via Core Engine