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Compound Detail

CHEMBL1543947

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CCCCNC(=O)c1cnc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1543947
Phase Preclinical
Structure Type MOL
InChI Key PKESBJRXWVZEPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
3.67
ALogP
6
HBA
3
HBD
117.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O5S
MW 443.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.60

Data from ChEMBL 36 via Core Engine