MANIDIPINE 6300

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Synonyms
Status
Molecule Category Free-form
UNII 6O4754US88
EPA CompTox DTXSID2043745

Structure

InChI Key ANEBWFXPVPTEET-UHFFFAOYSA-N
Smiles COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
InChI
InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H38N4O6
Molecular Weight 610.71
AlogP 4.95
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 114.25
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 45.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker BLOCKER Other Other PubMed

Target Conservation

Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1F
Organism : Homo sapiens
O60840 ENSG00000102001
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1D
Organism : Homo sapiens
Q01668 ENSG00000157388
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1S
Organism : Homo sapiens
Q13698 ENSG00000081248
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1C
Organism : Homo sapiens
Q13936 ENSG00000151067

Related Entries

Cross References

Resources Reference
ChEBI 135849
ChEMBL CHEMBL1085699
DrugBank DB09238
DrugCentral 1631
FDA SRS 6O4754US88
SureChEMBL SCHEMBL49368
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