Details of the Drug

General Information of Drug (ID: DM35RTJ)

Drug Name

NPC-16377

Synonyms

Npc-16377; 139652-86-1; 6-(6-(4-hydroxypiperidinyl)hexyloxy)-3-methylflavone hydrochloride; Npc 16377; npc16377; SCHEMBL8787810; DTXSID40161144; 6-(6-(4-Hydroxypiperidinyl)hexyloxy)-3-methylflavone HCl; 4H-1-Benzopyran-4-one, 6-((6-(4-hydroxy-1-piperidinyl)hexyl)oxy)-3-methyl-2-phenyl-, hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Psychotic disorder	6A20-6A25	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

472

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

9

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

5

Chemical Identifiers

Formula: C27H34ClNO4
IUPAC Name: 6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-3-methyl-2-phenylchromen-4-one;hydrochloride
Canonical SMILES: CC1=C(OC2=C(C1=O)C=C(C=C2)OCCCCCCN3CCC(CC3)O)C4=CC=CC=C4.Cl
InChI: InChI=1S/C27H33NO4.ClH/c1-20-26(30)24-19-23(11-12-25(24)32-27(20)21-9-5-4-6-10-21)31-18-8-3-2-7-15-28-16-13-22(29)14-17-28;/h4-6,9-12,19,22,29H,2-3,7-8,13-18H2,1H3;1H
InChIKey: GWSBQIZSTCDSLE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9890958
CAS Number: 139652-86-1
TTD ID: D0B1PD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor sigma 1 (OPRS1)	TT5TPI6	SGMR1_HUMAN	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Psychotic disorder

ICD Disease Classification

6A20-6A25

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor sigma 1 (OPRS1)	DTT	SIGMAR1	2.77E-06	-0.12	-0.62

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas 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 800001997)
2	Effects of the selective sigma receptor ligand, 6-[6-(4-hydroxypiperidinyl)hexyloxy]-3-methylflavone (NPC 16377), on behavioral and toxic effects of cocaine. J Pharmacol Exp Ther. 1993 Aug;266(2):473-82.