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Compound Detail

CHEMBL1576059

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COc1cccc(CNc2ccc3c(c2)ncn3C(C)C)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1576059
Phase Preclinical
Structure Type MOL
InChI Key DYDVHLCNSMXGGH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.25
ALogP
5
HBA
1
HBD
48.3
PSA (Ų)
0.74
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 C19H23N3O2
MW 325.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.30

Activity Summary

EC50 1 meas. best 4.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-degrading enzyme
CHEMBL1293287
 EC50 4.36 4.36 43763.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-degrading enzyme EC50 = 43763.0 nM 4.36 PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... -

Data from ChEMBL 36 via Core Engine