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Compound Detail

CHEMBL1207050

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Cn1nnnc1SCC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207050
Phase Preclinical
Structure Type MOL
InChI Key JQLWSRMROICNBK-VDTYLAMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
-2.08
ALogP
9
HBA
1
HBD
138.6
PSA (Ų)
0.37
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 C9H12N6O5S2
MW 348.37
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -2.01

Data from ChEMBL 36 via Core Engine