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Compound Detail

CHEMBL1205170

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CC1(C)[C@H](C(=O)O)N2C(=O)/C(=C/C(=O)O)C2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205170
Phase Preclinical
Structure Type MOL
InChI Key BFVDGHQWCMHZCR-WWLCODCWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
-1.17
ALogP
5
HBA
2
HBD
129.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11NO7S
MW 289.27
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.48

Data from ChEMBL 36 via Core Engine