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Compound Detail

CHEMBL1645233

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CC1(C)[C@H](C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2S1(=O)=O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1645233
Phase Preclinical
Structure Type MOL
InChI Key MNCSRJUMZGARTK-LQDWTQKMSA-M
Parent Compound CHEMBL117350
Active Moiety CHEMBL117350
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
-0.46
ALogP
5
HBA
2
HBD
120.8
PSA (Ų)
0.70
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 C16H17N2NaO6S
MW 388.38
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
21129961 10.1016/j.bmcl.2010.10.134 Unchecked 2

Data from ChEMBL 36 via Core Engine