DIBUCAINE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L6JW2TJG99

Structure
InChI Key PUFQVTATUTYEAL-UHFFFAOYSA-N
Smile CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
InChI
InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H29N3O2
Molecular Weight 343.47
AlogP 3.49
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 54.46
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 1400 - - 77
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 41650 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 247956
ChEMBL CHEMBL1086
DrugBank DB00527
DrugCentral 859
EPA CompTox DTXSID3045271
FDA SRS L6JW2TJG99
Human Metabolome Database HMDB0014668
Guide to Pharmacology 7159
KEGG C07879
PharmGKB PA449286
PubChem 3025
SureChEMBL SCHEMBL34473
ZINC ZINC000001530939
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