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4-Imidazolidinone

E3L060394
Internal ID: BDB060394
Activity data available Local docking-ready structure
Dock with Q96SW2
Structure
/e3_file/ligand_db/generated/BDB060394/BDB060394.sdf
Basic Properties
Compound ID
E3L060394
Internal ID
BDB060394
Molecular formula
C3H6N2O
Molecular weight
86.094000
Exact mass
86.048013
XLogP
-1.3367
TPSA
41.1300
HBA / HBD
2 / 2
Rotatable bonds
0
Heavy atoms / rings
6 / 1
Activity summary
IC50 > 5000000.00000000 nM
1 activity record(s) imported
InChIKey
GVONPBONFIJAHJ-UHFFFAOYSA-N
SMILES
O=C1CNCN1
Aliases
BDBM50549805 (preferred) 4-Imidazolidinone (source_name) BDBM50549805 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q96SW2 CRBN;AD-006
Protein cereblon		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50549805 medium
; target=Protein cereblon
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50549805 Open - 10.1021/acsmedchemlett.0c00440 PMID: 33488967
PubChem CID1502063 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C1CNCN1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB060394/BDB060394.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB060394/BDB060394.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB060394/BDB060394.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB060394/BDB060394.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB060394/BDB060394.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Protein cereblon
Q96SW2
E3 ligase component 		BindingDB:BDBM50549805 IC50 >5000000 nM Low DOI: 10.1021/acsmedchemlett.0c00440
PMID: 33488967 		1