MANIDIPINE 6300

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6O4754US88

Structure
InChI Key ANEBWFXPVPTEET-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
BLOCKER Voltage-gated L-type calcium channel blocker
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 6000 - - -
Enzyme Transferase
- - - - 6.71
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -15.32--3.42
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 4600-4650 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135849
ChEMBL CHEMBL1085699
DrugBank DB09238
DrugCentral 1631
EPA CompTox DTXSID2043745
FDA SRS 6O4754US88
PubChem 4008
SureChEMBL SCHEMBL49368
CONTENTS