Details of the Drug

General Information of Drug (ID: DM1SCU5)

Drug Name

Nalorphine

Synonyms

Nalorphine; Allorphine; Nalorphinium; Antorphin; Antorfin; Anthorphine; Nalorphin; Antorphine; N-Allylnormorphine; Anarcon; Nalorfina; Norfin; Nallin; 62-67-9; Acetorfin [Czech]; Nalorfina [DCIT]; NANM; Normorphine, N-allyl-; Nalorphine [INN:BAN]; Nalorphinum [INN-Latin]; UNII-U59WB2WRY2; N-Allyl-N-desmethylmorphine; HSDB 3278; EINECS 200-546-1; U59WB2WRY2; Acetorfin; CHEBI:7458; Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, (5alpha,6alpha)-; N-Allyl-7,8-dehydro-4,5-epoxy-3,6-dihydroxymorphinan; DEA No. 9400

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

311.4

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H21NO3
IUPAC Name: (4R,4aR,7S,7aR,12bS)-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Canonical SMILES: C=CCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
InChIKey: UIQMVEYFGZJHCZ-SSTWWWIQSA-N

Cross-matching ID

PubChem CID: 5284595
ChEBI ID: CHEBI:7458
CAS Number: 62-67-9
DrugBank ID: DB11490
TTD ID: D04FBZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Agonist	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Prolactin (PRL)	OTWFQGX7	PRL_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor kappa (OPRK1)	DTT	OPRK1	9.17E-01	0.04	0.1

Molecular Expression Atlas (MEA)

MEA Detail

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: 1629).
2	Apparent efficacy of kappa-opioid receptor ligands on serum prolactin levels in rhesus monkeys. Eur J Pharmacol. 1999 Nov 3;383(3):305-9.
3	Changes in nalorphine-induced hyperprolactinaemia after bromocriptine or sulpiride administration. Eur J Clin Pharmacol. 1982;22(4):375-6. doi: 10.1007/BF00548408.