Details of the Drug

General Information of Drug (ID: DMG7SQK)

Drug Name
Rescinnamine
Synonyms
Anapral; Anaprel; Apolon; Apoterin; Cartric; Cinamine; Cinatabs; Cinnaloid; Cinnasil; Moderil; Normorescina; Paresinan; Raupyrol; Raurescin; Raurescine; Recinnamine; Recitensina; Rescaloid; Rescamin; Rescidan; Rescin; Rescinamina; Rescinnamin; Rescinnamina; Rescinnaminum; Rescinpal; Rescisan; Rescitens; Resealoid; Reserpinene; Reserpinin; Reserpinine; Resipal; Reskinnamin; Rozex; Scinnamina; Tenamine; Tuareg; Apoterin S; Methyl trimethoxycinnamoylreserpate; Rescinnamina [DCIT]; Trimethoxy cinnamoyl reserpate de methyl; Trimethoxy cinnamoyl reserpate de methyl [French]; Trimethoxycinnamoyl methyl reserpate; Tsuruselpi S; Anaprel (TN); Cinnasil (TN); Moderil (TN); NP-011016; Rescinamina [INN-Spanish]; Rescinnamine (VAN); Rescinnaminum [INN-Latin]; Resepinine (C35 alkaloid); Reserpinine (C35 alkaloid); Reserpinine (VAN); Tsuruselpi S (TN); Rescinnamine (JAN/INN); Rescinnamine [BAN:INN:JAN]; Methyl reserpate 3,4,5-trimethoxycinnamic acid ester; Reserpic acid methyl ester 3,4,5-trimethoxycinnamate; Methyl 18-O-(3,4,5-trimethoxycinnamoyl)reserpate; O-(3,4,5-Trimethoxy-trans-cinnamoyl) methyl reserpate; 3,4,5-Trimethoxycinnamic acid, methyl reserpate; 3,4,5-Trimethoxycinnamoyl methyl reserpate; 3,4,5-Trimethylcinnamic acid, ester with methyl reserpate; 3,4,5-Trimethylcinnamoyl methyl reserpate
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Approved [1]
Therapeutic Class
Antihypertensive Agents
Affected Organisms
Humans and other mammals
ATC Code
: Rescinnamine
C01EX: Other cardiac combination products
C01E: OTHER CARDIAC PREPARATIONS
C01: CARDIAC THERAPY
C: CARDIOVASCULAR SYSTEM
C02AA01: Rescinnamine
C02AA: Rauwolfia alkaloids
C02A: ANTIADRENERGIC AGENTS, CENTRALLY ACTING
C02: ANTIHYPERTENSIVES
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 634.7
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C35H42N2O9
IUPAC Name
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Canonical SMILES
CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C(=C6)OC)OC)OC
InChI
InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1
InChIKey
SZLZWPPUNLXJEA-QEGASFHISA-N
Cross-matching ID
PubChem CID
5280954
ChEBI ID
CHEMBL28572
CAS Number
24815-24-5
UNII
Q6W1F7DJ2D
DrugBank ID
DB01180
TTD ID
D0G8NJ
VARIDT ID
DR01190
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Angiotensin-converting enzyme (ACE) TTL69WB ACE_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
ATP-dependent translocase ABCB1 (ABCB1) OTEJROBO MDR1_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hypertension
ICD Disease Classification BA00-BA04
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Angiotensin-converting enzyme (ACE) DTT SLC33A1 2.62E-01 -0.01 -0.06
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7098).
2 Colorimetric determination of indolic drugs. Pak J Pharm Sci. 2005 Apr;18(2):48-51.
3 A structure-function relationship among reserpine and yohimbine analogues in their ability to increase expression of mdr1 and P-glycoprotein in a human colon carcinoma cell line. Mol Pharmacol. 1995 Oct;48(4):682-9.