General Information of the Compound
Compound ID
CP0675983
Compound Name
AMLODIPINE BESYLATE
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Synonyms
Antihyperlipidemic, Forbes Medi-Tech
CardioRex
FCP-3P1
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Structure
Formula
C26H31ClN2O8S
Molecular Weight
567.06
Canonical SMILES
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1
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InChI
InChI=1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)
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InChIKey
ZPBWCRDSRKPIDG-UHFFFAOYSA-N
CAS
111470-99-6
Physicochemical Property
logP
3.1996
Rotatable Bonds
9
Heavy Atom Count
38
Polar Areas
154.25
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Complexity
38

"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: 11330522
SID: 14837689
ChEMBL ID
CHEMBL1200402
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: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000514 DPX2 Homo sapiens (Human)  1
1
EC50 = 31600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 28200 nM
Clinical Information about the Compound
Drug 1 ( FCP-3P1 )
Drug Name FCP-3P1
Company Forbes Medi-Tech Inc
Indication
Arteriosclerosis
Discontinued in Phase 2