General Information of the Compound
Compound ID
CP0437375
Compound Name
N-{4-[(6-{4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
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Synonyms
862269-93-0
AKOS022193590
AMG 628
AMG-628
AMG-628, (R)-
AMG628
Acetamide, N-(4-((6-(4-((1R)-1-(4-fluorophenyl)ethyl)-1-piperazinyl)-4-pyrimidinyl)oxy)-2-benzothiazolyl)-
BDBM20581
CHEMBL226574
G8JW58493W
GTPL4130
KS-00003MQ7
MB-0047
MolPort-029-996-161
N-{4-[(6-{4-[(1R)-1-(4-fluorophenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
Piperazinylpyrimidine analogue, 16p
QUHZTEMPQQZPNB-MRXNPFEDSA-N
SCHEMBL3841997
UNII-28J966TN3X component QUHZTEMPQQZPNB-M
UNII-G8JW58493W
ZINC14974185
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Structure
Formula
C25H25FN6O2S
Molecular Weight
492.58
Canonical SMILES
C[C@@H](N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1
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InChI
InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)/t16-/m1/s1
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InChIKey
QUHZTEMPQQZPNB-MRXNPFEDSA-N
Physicochemical Property
logP
4.8593
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
83.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
35

"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: 11352366
SID: 16444051
ChEMBL ID
CHEMBL226574
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: PT01914, Transient receptor potential cation channel subfamily V member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 3.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AMG-628 )
Drug Name AMG-628
Indication
Pain
Investigative
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
 Target Info 
Inhibitor