Details of the Drug

General Information of Drug (ID: DM0XDG6)

Drug Name

4-(Spiro[chromene-2,4'-piperidine]-4-yl)benzamide

Synonyms

CHEMBL550063; SCHEMBL10266987; BDBM50297313

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)

320.4

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H20N2O2
IUPAC Name: 4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
Canonical SMILES: C1CNCCC12C=C(C3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)N
InChI: InChI=1S/C20H20N2O2/c21-19(23)15-7-5-14(6-8-15)17-13-20(9-11-22-12-10-20)24-18-4-2-1-3-16(17)18/h1-8,13,22H,9-12H2,(H2,21,23)
InChIKey: QQXCPIPMLCDOFK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[1]
Opioid receptor delta (OPRD1)	TT27RFC	OPRD_HUMAN	Inhibitor	[1]
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Inhibitor	[1]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) b... J Med Chem. 2009 Sep 24;52(18):5685-702.