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Compound Detail

CHEMBL1358848

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O=C(c1ccc(=O)oc1)N1CCOCC1

Basic Information

ChEMBL ID CHEMBL1358848
Phase Preclinical
Structure Type MOL
InChI Key YNKJZULRDBGWPX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

209.2
MW (Da)
0.11
ALogP
4
HBA
0
HBD
59.8
PSA (Ų)
0.66
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 C10H11NO4
MW 209.20
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.01

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 7
CHEMBL2219
IC50 6.0 6.0 990.0 1
DNA (cytosine-5)-methyltransferase 1
CHEMBL1993
IC50 5.43 5.43 3670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine