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N-(2-methylphenyl)-1-phenazinecarboxamide

E3L002593
Internal ID: BDB002593
Activity data available Local docking-ready structure
Dock with P00748
Structure
/e3_file/ligand_db/generated/BDB002593/BDB002593.sdf
Basic Properties
Compound ID
E3L002593
Internal ID
BDB002593
Molecular formula
C20H15N3O
Molecular weight
313.360000
Exact mass
313.121512
XLogP
4.3437
TPSA
54.8800
HBA / HBD
3 / 1
Rotatable bonds
2
Heavy atoms / rings
24 / 4
Activity summary
IC50 > 50000.00000000 nM
1 activity record(s) imported
InChIKey
YTAITZRBXMKGJJ-UHFFFAOYSA-N
SMILES
Cc1ccccc1NC(=O)c1cccc2nc3ccccc3nc12
Aliases
BDBM45462 (preferred) N-(2-methylphenyl)-1-phenazinecarboxamide (source_name) BDBM45462 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P00748 F12
Coagulation factor XII		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM45462 medium
; target=Coagulation factor XII
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM45462 Open - 10.7270/Q21G0JQS
PubChem CID4364019 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cc1ccccc1NC(=O)c1cccc2nc3ccccc3nc12 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002593/BDB002593.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002593/BDB002593.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002593/BDB002593.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002593/BDB002593.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002593/BDB002593.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Coagulation factor XII
P00748
E3 ligase component 		BindingDB:BDBM45462 IC50 >50000 nM Low DOI: 10.7270/Q21G0JQS 1