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Compound Detail

CHEMBL3211804

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Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c1CN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3211804
Phase Preclinical
Structure Type MOL
InChI Key VOJIRSXTDBJIRS-ODCIPOBUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.3
MW (Da)
1.14
ALogP
11
HBA
2
HBD
149.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17Cl2N9O3
MW 466.29
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -2.67

Activity Summary

EC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 EC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated inwardly rectifying potassium channel KCNH2 EC50 = 230.0 nM 6.64 PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... -

Data from ChEMBL 36 via Core Engine