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Compound Detail

CHEMBL3950784

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CCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OCC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3950784
Phase Preclinical
Structure Type MOL
InChI Key SHGQVWJNIXCCRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

796.9
MW (Da)
6.70
ALogP
12
HBA
2
HBD
143.3
PSA (Ų)
0.12
QED
3
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H42F2N8O5S
MW 796.90
Aromatic Rings 6
Heavy Atoms 57
NP-Likeness -1.85

Data from ChEMBL 36 via Core Engine