General Information of the Compound
Compound ID
CP0136322
Compound Name
N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-4-fluorobenzamide
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Synonyms
59831-65-1
65Q28TV0ZY
AC1L23CG
AOB5520
C21H22ClFN4O2
CHEMBL245621
CTK8G0128
HALOPEMIDE
Halopemida
Halopemida [INN-Spanish]
Halopemide
Halopemide (USAN/INN)
Halopemide [USAN:INN]
Halopemide, &gt
Halopemide, 8
Halopemidum
Halopemidum [INN-Latin]
MLS003171133
MLS006012046
N-(2-(4-(5-Chloro-2-oxo-1-benzimidazolinyl)piperidino)ethyl)-p-fluorobenzamide
N-[2-[4-(5-Chloro-2-oxo-1-benzimidazolinyl)piperidino]ethyl]-p-fluorobenzamide
NSC 354856
R 34,301
R 34301
R-34301
SCHEMBL121267
UNII-65Q28TV0ZY
cid_65490
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Structure
Formula
C21H22ClFN4O2
Molecular Weight
416.884
Canonical SMILES
Fc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O
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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)
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InChIKey
NBHPRWLFLUBAIE-UHFFFAOYSA-N
CAS
59831-65-1
Physicochemical Property
logP
3.189
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
70.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 65490
SID: 15353315
ChEMBL ID
CHEMBL245621
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01943, Phospholipase D1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000385 Calu-1
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 21 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 21 nM
2 IC50 = 220 nM
Protein ID: PT01153, Phospholipase D2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 6500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 300 nM
2 IC50 = 310 nM
3 IC50 = 1500 nM
Clinical Information about the Compound
Drug 1 ( HALOPEMIDE )
Drug Name HALOPEMIDE
Target(s)
Phospholipase D1 (PLD1)
 Target Info 
Inhibitor