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Compound Detail

CHEMBL1450467

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CC(C)(C)NC(=O)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1450467
Phase Preclinical
Structure Type MOL
InChI Key DFEKTQJALPKHPK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.9
MW (Da)
2.09
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25ClN4O2
MW 352.87
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -2.24

Activity Summary

IC50 1 meas. best 4.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.71 4.71 19327.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 19327.0 nM 4.71 PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... -

Data from ChEMBL 36 via Core Engine