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Compound Detail

CHEMBL4117342

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COc1ccc(N(C)c2cnc(SCc3c(F)cc(OCCCN(CCS(=O)(=O)O)CCS(=O)(=O)O)cc3F)n2-c2ccc(F)cc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117342
Phase Preclinical
Structure Type MOL
InChI Key OLYFOLUROBNZLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

774.9
MW (Da)
5.21
ALogP
12
HBA
2
HBD
160.7
PSA (Ų)
0.07
QED
3
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37F3N4O9S3
MW 774.86
Aromatic Rings 4
Heavy Atoms 51
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine