Details of the Drug

General Information of Drug (ID: DMW46K7)

Drug Name
4-Phenylspiro[chromene-2,4'-piperidine]
Synonyms CHEMBL492447; SCHEMBL467151; BDBM50252830
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 277.4
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H19NO
IUPAC Name
4-phenylspiro[chromene-2,4'-piperidine]
Canonical SMILES
C1CNCCC12C=C(C3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C19H19NO/c1-2-6-15(7-3-1)17-14-19(10-12-20-13-11-19)21-18-9-5-4-8-16(17)18/h1-9,14,20H,10-13H2
InChIKey
AWYPHZMWGAOGIC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25129089
ChEBI ID
CHEMBL492447
TTD ID
D0N2DN
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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 delta (OPRD1) TT27RFC OPRD_HUMAN Inhibitor [1]
Opioid receptor kappa (OPRK1) TTQW87Y OPRK_HUMAN Inhibitor [1]
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Potent, orally bioavailable delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-pipe... J Med Chem. 2008 Oct 9;51(19):5893-6.