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Compound Detail

CHEMBL5741863

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N#Cc1ccc(OC2CC(c3ccc(F)cc3)CC2N2CC(N)CC(F)C2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5741863
Phase Preclinical
Structure Type MOL
InChI Key DDJMNVFEYDZSQW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
2.55
ALogP
6
HBA
1
HBD
88.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23F2N5O
MW 399.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.41

Activity Summary

IC50 1 meas. best 8.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Short transient receptor potential channel 3
CHEMBL2417348
 IC50 8.14 8.14 7.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Short transient receptor potential channel 3 IC50 = 7.2 nM 8.14 Electrophysiology Assay: For TRPC6 current recording, the intracellular solution... -

Data from ChEMBL 36 via Core Engine