Details of the Drug

General Information of Drug (ID: DMJL5TR)

Drug Name
NOLOMIROLE HYDROCHLORIDE
Synonyms CHF-1035; Nolomirole hydrochloride; Rac-5,6-Diisobutyryloxy-2-(methylamino)-1,2,3,4-tetrahydronaphthalene hydrochloride
Indication
Disease Entry ICD 11 Status REF
Heart failure BD10-BD13 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 369.9
Topological Polar Surface Area Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C19H28ClNO4
IUPAC Name
[6-(methylamino)-1-(2-methylpropanoyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl] 2-methylpropanoate;hydrochloride
Canonical SMILES
CC(C)C(=O)OC1=C(C2=C(CC(CC2)NC)C=C1)OC(=O)C(C)C.Cl
InChI
InChI=1S/C19H27NO4.ClH/c1-11(2)18(21)23-16-9-6-13-10-14(20-5)7-8-15(13)17(16)24-19(22)12(3)4;/h6,9,11-12,14,20H,7-8,10H2,1-5H3;1H
InChIKey
TWTMQRXNAZGSCE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
219049
CAS Number
138531-51-8
TTD ID
D02ALD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_HUMAN Modulator [2]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Agonist [2], [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Heart failure
ICD Disease Classification BD10-BD13
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Adrenergic receptor alpha-2C (ADRA2C) DTT ADRA2C 1.76E-01 -0.06 -0.28
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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14 The Detection of Dopamine Gene Receptors (DRD1-DRD5) Expression on Human Peripheral Blood Lymphocytes by Real Time PCR. Iran J Allergy Asthma Immunol. 2004 Dec;3(4):169-74.
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