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Compound Detail

CHEMBL1205939

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O=C(Cc1ccc(O)c(O)c1)OCC1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)C2S(=O)(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205939
Phase Preclinical
Structure Type MOL
InChI Key KYYKKYMWINILDR-DHDCSXOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
0.60
ALogP
9
HBA
3
HBD
171.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O9S
MW 486.46
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine