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Compound Detail

CHEMBL176328

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N#CC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)C12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL176328
Phase Preclinical
Structure Type MOL
InChI Key UHGNEUKFFNEDRN-NOKMQZKLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

205.2
MW (Da)
-0.08
ALogP
5
HBA
0
HBD
76.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7NO4
MW 205.17
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.32

Literature References

PubMed DOI Target Context # Activities
15050639 10.1016/j.bmcl.2004.01.093 Protein phosphatase 1B 1
15050639 10.1016/j.bmcl.2004.01.093 Unchecked 1
15050639 10.1016/j.bmcl.2004.01.093 A2780 1
15050639 10.1016/j.bmcl.2004.01.093 G-401 1
15050639 10.1016/j.bmcl.2004.01.093 HT-29 1
15050639 10.1016/j.bmcl.2004.01.093 NCI-H460 1
15050639 10.1016/j.bmcl.2004.01.093 L1210 1

Data from ChEMBL 36 via Core Engine