Details of the Drug

General Information of Drug (ID: DMF6V8W)

Drug Name
HALOPEMIDE
Synonyms
Halopemide; 59831-65-1; UNII-65Q28TV0ZY; R 34,301; MLS003171133; 65Q28TV0ZY; CHEMBL245621; R-34301; N-(2-(4-(5-Chloro-2-oxo-1-benzimidazolinyl)piperidino)ethyl)-p-fluorobenzamide; Halopemida; Halopemidum; Halopemide [USAN:INN]; Halopemidum [INN-Latin]; Halopemida [INN-Spanish]; C21H22ClFN4O2; N-[2-[4-(5-Chloro-2-oxo-1-benzimidazolinyl)piperidino]ethyl]-p-fluorobenzamide; Halopemide, 8; NSC 354856; Halopemide (USAN/INN); AC1L23CG; R 34301; MLS006012046; cid_65490; SCHEMBL121267; Halopemide, > CTK8G0128; AOB5520
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 416.9
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H22ClFN4O2
IUPAC Name
N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide
Canonical SMILES
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCNC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29)
InChIKey
NBHPRWLFLUBAIE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65490
ChEBI ID
CHEMBL245621
CAS Number
59831-65-1
TTD ID
D07RPV
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phospholipase D (PLD) TTQW170 NOUNIPROTAC Inhibitor [1]
Phospholipase D1 (PLD1) TT3T17P PLD1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phospholipase D1 (PLD1) DTT PLD1 7.36E-01 0.08 0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design of isoform-selective phospholipase D inhibitors that modulate cancer cell invasiveness. Nat Chem Biol. 2009 Feb;5(2):108-17.