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3-Chloro-6-(1-piperazinyl)pyridazine

E3L057575
Internal ID: BDB057575
Activity data available Local docking-ready structure
Dock with Q12830
Structure
/e3_file/ligand_db/generated/BDB057575/BDB057575.sdf
Basic Properties
Compound ID
E3L057575
Internal ID
BDB057575
Molecular formula
C8H11ClN4
Molecular weight
198.657000
Exact mass
198.067224
XLogP
0.5396
TPSA
41.0500
HBA / HBD
4 / 1
Rotatable bonds
1
Heavy atoms / rings
13 / 2
Activity summary
IC50 unknown 750000.00000000 nM
1 activity record(s) imported
InChIKey
DXPPQFXYIZTQCV-UHFFFAOYSA-N
SMILES
Clc1ccc(N2CCNCC2)nn1
Aliases
BDBM50473425 (preferred) 3-Chloro-6-(1-piperazinyl)pyridazine (source_name) BDBM50473425 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q12830 BPTF;FAC1;FALZ
Nucleosome-remodeling factor subunit BPTF		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50473425 medium
; target=Nucleosome-remodeling factor subunit BPTF
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50473425 Open - 10.1021/acsmedchemlett.3c00343 PMID: 37849548
PubChem CID5294926 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Clc1ccc(N2CCNCC2)nn1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB057575/BDB057575.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB057575/BDB057575.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB057575/BDB057575.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB057575/BDB057575.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB057575/BDB057575.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Nucleosome-remodeling factor subunit BPTF
Q12830
E3 ligase component 		BindingDB:BDBM50473425 IC50 750000 nM Low DOI: 10.1021/acsmedchemlett.3c00343
PMID: 37849548 		1