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Compound Detail

CHEMBL99585

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CS(=O)(=O)Nc1ccc(OCC(O)CNCCOc2ccc(-n3ccnc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99585
Phase Preclinical
Structure Type MOL
InChI Key QZWUQVSQIFFFKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
1.65
ALogP
8
HBA
3
HBD
114.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O5S
MW 446.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.54

Data from ChEMBL 36 via Core Engine