PHENTOLAMINE

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Synonyms
Status
Molecule Category Free-form
ATC C04AB01 V03AB36
UNII Z468598HBV
EPA CompTox DTXSID4023462

Structure

InChI Key MRBDMNSDAVCSSF-UHFFFAOYSA-N
Smiles Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
InChI
InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H19N3O
Molecular Weight 281.36
AlogP 2.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 47.86
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 54.6
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 1.1-90 1.514-338.84 0.6-220 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 91
Membrane receptor
- 1.1-90 1.514-338.84 0.6-220 91
Other cytosolic protein
- - - 11.4-11.4 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - - 41-100
Cavia porcellus
- - 3.162-15.49 - 54.6
Homo sapiens
- 1.1-12.5 - 0.6-80.3 91
Oryctolagus cuniculus
- - 3.715-32.36 - -
Rattus norvegicus
- 12 1.514-338.84 4.7-23.44 -
mesocricetus auratus (golden hamster)
- - - 220 -

Cross References

Resources Reference
ChEBI 8081
ChEMBL CHEMBL597
DrugBank DB00692
DrugCentral 2142
FDA SRS Z468598HBV
Human Metabolome Database HMDB0014830
Guide to Pharmacology 502
PharmGKB PA450926
PubChem 5775
SureChEMBL SCHEMBL5653
ZINC ZINC000000020251
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