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Compound Detail

CHEMBL1204632

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C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)[C@@H](CO)[C@H]2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204632
Phase Preclinical
Structure Type MOL
InChI Key XPRZVSWHOFCGHP-SZVQBCOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
-2.30
ALogP
8
HBA
2
HBD
142.7
PSA (Ų)
0.59
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 C11H14N4O6S
MW 330.32
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine