Details of the Drug

General Information of Drug (ID: DM1SV8I)

Drug Name
PHN-131
Synonyms
NALBUPHINE HYDROCHLORIDE; Nalbuphine HCL; Nubain; 23277-43-2; Nalbufina clorhidrato [Spanish]; Nalbuphine hydrochloride [USAN]; En 2234A; UNII-ZU4275277R; EN-2234A; EINECS 245-549-9; ZU4275277R; 17-(Cyclobutylmethyl)-4,5alpha-epoxymorphinan-3,6alpha,14-triol hydrochloride; Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, hydrochloride, (5-alpha,6-alpha)-; (5alpha,6alpha)-17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride; N-Cyclobutylmethyl-14-hydroxydihydronormorphine hydrochloride; Nalbuphine h
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Phase 2/3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 393.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C21H28ClNO4
IUPAC Name
(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol;hydrochloride
Canonical SMILES
C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl
InChI
InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16+,19-,20-,21+;/m0./s1
InChIKey
YZLZPSJXMWGIFH-BCXQGASESA-N
Cross-matching ID
PubChem CID
5360733
ChEBI ID
CHEMBL7455
CAS Number
23277-43-2
TTD ID
D06ZXH
ACDINA ID
D01268
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
Opioid receptor kappa (OPRK1) TTQW87Y OPRK_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pain
ICD Disease Classification MG30-MG3Z
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) Jump to Detail Molecular Expression Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Hydrochloric acid E00015 313 Acidulant
Kyselina citronova E00014 311 Acidulant; Antioxidant; Buffering agent; Complexing agent; Flavoring agent
methylparaben E00149 7456 Antimicrobial preservative
Propylparaben sodium E00567 23679044 Antimicrobial preservative
Sodium chloride E00077 5234 Diluent; Tonicity agent
Sodium citrate dihydrate E00369 71474 Alkalizing agent; Buffering agent; Complexing agent; Emulsifying agent
⏷ Show the Full List of 6 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Nalbuphine Hydrochloride 10mg/ml injectable 10mg/ml Injectable Injection
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800029095)
2 Nalbuphine: an autoradiographic opioid receptor binding profile in the central nervous system of an agonist/antagonist analgesic. J Pharmacol Exp Ther. 1988 Jan;244(1):391-402.