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Compound Detail

CHEMBL1403262

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Cc1[nH]c(O)nc1C(=O)CCCCC(=O)O

Basic Information

ChEMBL ID CHEMBL1403262
Phase Preclinical
Structure Type MOL
InChI Key QOKBZTDZIZMTMS-UHFFFAOYSA-N
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
1.25
ALogP
4
HBA
3
HBD
103.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N2O4
MW 226.23
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.06

Activity Summary

EC50 3 meas. best 4.91
IC50 1 meas. best 7.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ras and Rab interactor 1/Tyrosine-protein kinase ABL1
CHEMBL3885630
IC50 7.76 7.76 17.4 1
Insulin-degrading enzyme
CHEMBL1293287
EC50 4.91 4.84 12176.0 2
HEK293
CHEMBL614818
EC50 4.65 4.65 22554.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine