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Compound Detail

CHEMBL1205941

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C=C1C(/C=C/C(=O)O)=C(C(=O)O)N2C(=O)/C(=C/c3ccccn3)C2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205941
Phase Preclinical
Structure Type MOL
InChI Key QQYMMFPNJJCTHC-ZHDSEDTHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
0.55
ALogP
6
HBA
2
HBD
141.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N2O7S
MW 388.36
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine