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Compound Detail

CHEMBL5202666

DM-6705
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C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)CN=C(N)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202666
Name DM-6705
Phase Preclinical
Structure Type MOL
InChI Key YDAIKJSLITWSBP-JOCHJYFZSA-N

Known Names

Dm-6705
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
1
Known Names

Molecular Properties

465.5
MW (Da)
4.12
ALogP
7
HBA
1
HBD
78.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Extended Properties

Molecular Formula C23H26F3N3O4
MW 465.47
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.35

Activity Summary

IC50 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 7.09 7.09 82.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 122.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 82.0 nM 7.09 Inhibition of human ERG 35777718

Literature References

PubMed DOI Target Context # Activities
35777718 10.1016/j.bmcl.2022.128871 Voltage-gated inwardly rectifying potassium channel KCNH2 1
35777718 10.1016/j.bmcl.2022.128871 ADMET 1

Data from ChEMBL 36 via Core Engine