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Compound Detail

CHEMBL1205612

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C[C@]1(/C=C\c2ccccn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205612
Phase Preclinical
Structure Type MOL
InChI Key ZWKSSRXNDMXRII-KGKKKFOGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
0.29
ALogP
5
HBA
1
HBD
104.6
PSA (Ų)
0.80
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 C14H14N2O5S
MW 322.34
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine