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Compound Detail

CHEMBL1185698

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C(=C/c1sc(Nc2ccccc2)n[n+]1-c1ccccc1)\c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185698
Phase Preclinical
Structure Type MOL
InChI Key PGQZXPJZOFDMCL-WYMLVPIESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
5.06
ALogP
5
HBA
1
HBD
47.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18N3O2S+
MW 400.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine