BzT-7   

GtoPdb Ligand ID: 7515

Compound class: Synthetic organic
Comment: BzT‑7 is a benzotriazepine which functions as an inhibitor of BET domain containing BRDs (BRDs 2, 3 and 4) [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 48.01
Molecular weight 323.09
XLogP 7.38
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc2c(c1)c(nn(c1n2c(C)nn1)C)c1ccccc1
Isomeric SMILES Clc1ccc2c(c1)c(nn(c1n2c(C)nn1)C)c1ccccc1
InChI InChI=1S/C17H14ClN5/c1-11-19-20-17-22(2)21-16(12-6-4-3-5-7-12)14-10-13(18)8-9-15(14)23(11)17/h3-10H,1-2H3
InChI Key UYIVCPRWMLOCSB-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
8-chloro-1,4-dimethyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine
Database Links
ChEMBL Ligand CHEMBL1958337
GtoPdb PubChem SID 187051817
PubChem CID 20350618
RCSB PDB Ligand 08K
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SynPHARM 79910 (in complex with bromodomain containing 4)