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

CHEMBL1382246

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
CC1CCN(c2c(NCc3ccc(C(=O)N4c5ccccc5CC4C)cc3)c(=O)c2=O)CC1

Basic Information

ChEMBL ID CHEMBL1382246
Phase Preclinical
Structure Type MOL
InChI Key WYMPABLYCVRFJV-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
3.72
ALogP
5
HBA
1
HBD
69.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N3O3
MW 443.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.04

Activity Summary

IC50 4 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-degrading enzyme
CHEMBL1293287
IC50 5.53 5.53 2984.0 1
Zinc finger protein GLI1
CHEMBL5007
IC50 5.29 5.29 5180.0 1
Unchecked
CHEMBL612545
IC50 5.06 4.905 8730.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine