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Compound Detail

CHEMBL4596298

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COc1ccc2c(c1)c(-c1nc3n(c1C)CCCN3)cn2S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596298
Phase Preclinical
Structure Type MOL
InChI Key MXSFJUHNJHNBLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
3.87
ALogP
7
HBA
1
HBD
78.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O3S
MW 422.51
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine