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Compound Detail

CHEMBL1542526

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CCCCn1nc2cc(C(=O)NCCCCc3ccccc3)ccc2c1OCC

Basic Information

ChEMBL ID CHEMBL1542526
Phase Preclinical
Structure Type MOL
InChI Key WMJOMUNZUSDHGZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
4.99
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N3O2
MW 393.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.06

Activity Summary

EC50 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-degrading enzyme
CHEMBL1293287
EC50 4.64 4.64 22815.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-degrading enzyme EC50 = 22815.0 nM 4.64 PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... -

Data from ChEMBL 36 via Core Engine