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Compound Detail

CHEMBL1612518

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COc1ccc(-n2cc(CNC3CCN(C)CC3)c(-c3cccc(F)c3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1612518
Phase Preclinical
Structure Type MOL
InChI Key NZEIDBTTWSYLCM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
3.87
ALogP
5
HBA
1
HBD
42.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27FN4O
MW 394.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.80

Activity Summary

IC50 1 meas. best 5.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.69 5.69 2033.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2033.33 nM 5.69 PubChem BioAssay. Dry powder dose response confirmation of uHTS inhibitor hits ... -

Data from ChEMBL 36 via Core Engine