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Compound Detail

CHEMBL5754879

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CC(C)(C)c1ccc(O)c(CC(=O)Nc2ccnc(C(=O)NC3(C#N)CCOCC3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5754879
Phase Preclinical
Structure Type MOL
InChI Key BVPQTSRXUWEDDS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
3.07
ALogP
6
HBA
3
HBD
124.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N4O4
MW 436.51
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.27

Activity Summary

EC50 2 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Anoctamin-1
CHEMBL2046267
 EC50 6.85 6.85 140.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Anoctamin-1 EC50 = 140.0 nM 6.85 Automated Whole-Cell Patch Clamp Assay to Detect TMEM16A Activity in Recombinant... -
Anoctamin-1 EC50 = 140.0 nM 6.85 Automated Whole-Cell Patch Clamp Assay: Cell Culture and PreparationFisher rat t... -

Data from ChEMBL 36 via Core Engine