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Compound Detail

CHEMBL3986093

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Cn1ccc2cc(S(=O)(=O)Nc3ccc(F)c(Nc4ncccc4-c4ncnc5[nH]cnc45)c3F)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3986093
Phase Preclinical
Structure Type MOL
InChI Key IBBWOWZXOLJUHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

532.5
MW (Da)
4.73
ALogP
8
HBA
3
HBD
130.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18F2N8O2S
MW 532.54
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -1.52

Data from ChEMBL 36 via Core Engine