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Compound Detail

CHEMBL1207161

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O=C(O)C1=C(/C=C/c2ccccn2)CS(=O)(=O)[C@@H]2/C(=C\c3ccccn3)C(=O)N12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207161
Phase Preclinical
Structure Type MOL
InChI Key MSTBCXZOXCCNFW-WWAJHOSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
1.51
ALogP
6
HBA
1
HBD
117.5
PSA (Ų)
0.60
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 C20H15N3O5S
MW 409.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine