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Compound Detail

CHEMBL1207169

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N#C/C=C/C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)C2S(=O)(=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207169
Phase Preclinical
Structure Type MOL
InChI Key ITJYYTDFHUHVOA-QOROXLEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
0.48
ALogP
6
HBA
1
HBD
128.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O5S
MW 357.35
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine