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]
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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
CAS Number: 59831-65-1
TTD ID: D07RPV

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.