taladegib [8165]



taladegib


SMILES CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
InChIKey SZBGQDXLNMELTB-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Log P 4.929
Molecular weight (Da) 512.2
Stereochemistry info unspecified

Database connections

Structure pdb 4JKV
Model (Boltz2) SMO

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

taladegib


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 2
Phase III 0
Phase IV 0

Database connections

Structure pdb 4JKV
Model (Boltz2) SMO

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score