Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL174701

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COC(=O)C1C(C(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174701
Phase Preclinical
Structure Type MOL
InChI Key XIWDKKMLXLWQMI-IALDZJHCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

307.7
MW (Da)
2.02
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14ClNO4
MW 307.73
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.67

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