Anabasamine

Details

• Internal ID: 1750f7fe-b293-4720-b0f0-48325a444bdd
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Bipyridines and oligopyridines
• IUPAC Name: 5-(1-methylpiperidin-2-yl)-2-pyridin-3-ylpyridine
• SMILES (Canonical): CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3
• SMILES (Isomeric): CN1CCCCC1C2=CN=C(C=C2)C3=CN=CC=C3
• InChI: InChI=1S/C16H19N3/c1-19-10-3-2-6-16(19)14-7-8-15(18-12-14)13-5-4-9-17-11-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3
• InChI Key: TZRDBHMKTWECOV-UHFFFAOYSA-N
• Popularity: 26 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₉N₃
• Molecular Weight: 253.34 g/mol
• Exact Mass: 253.157897619 g/mol
• Topological Polar Surface Area (TPSA): 29.00 Ų
• XlogP: 1.60

Synonyms

• RAC-ANABASAMINE
• 20410-87-1
• 400738-05-8
• Anabasamine, (+)-
• 5-(1-methylpiperidin-2-yl)-2-pyridin-3-ylpyridine
• (+)-5-(1-Methyl-2-piperidinyl)-2,3'-bipyridine
• 65LB65490V
• 2,3'-Bipyridine, 5-(1-methyl-2-piperidinyl)-, (+)-
• 5-(1-methyl-2-piperidyl)-2-(3-pyridyl)pyridine
• 2,3'-Bipyridine, 5-(1-methyl-2-piperidinyl)-, (+)- (9CI)
• 5-(1-Methyl-2-piperidinyl)-2,3'-bipyridine
• BRN 0617642
• 5-(1-Methyl-2-piperidyl)-2,3'-bipyridine
• Spectrum_001506
• SpecPlus_000908
• (+)-ANABASAMINE
• Spectrum2_000727
• Spectrum3_001637
• Spectrum4_001676
• Spectrum5_000611
• 5-(1-methylpiperidin-2-yl)-2,3'-bipyridine
• Oprea1_185600
• BSPBio_003333
• KBioGR_002231
• KBioSS_001986
• DivK1c_007004
• SPBio_000654
• CHEMBL1411372
• UNII-65LB65490V
• CHEBI:93850
• KBio1_001948
• KBio2_001986
• KBio2_004554
• KBio2_007122
• KBio3_002553
• DTXSID60942578
• TZRDBHMKTWECOV-UHFFFAOYSA-N
• AKOS001642864
• SDCCGMLS-0066770.P001
• NCGC00160193-01
• NCGC00160193-02
• FT-0662137
• Piperidine, 2-[2,3'-bipyridin]-5-yl-1-methyl-
• 5-(1-methyl-2-piperidinyl)-2-(3-pyridinyl)pyridine
• BRD-A34774643-003-02-2
• BRD-A34774643-003-06-3
• Q27165594

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.00%	96.09%
CHEMBL2581	P07339	Cathepsin D	96.83%	98.95%
CHEMBL5203	P33316	dUTP pyrophosphatase	93.45%	99.18%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	90.97%	96.00%
CHEMBL2243	O00519	Anandamide amidohydrolase	90.44%	97.53%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	87.01%	93.65%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	86.48%	98.33%
CHEMBL1075145	P55072	Transitional endoplasmic reticulum ATPase	85.88%	98.50%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.87%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.63%	95.89%
CHEMBL1938212	Q9UPP1	Histone lysine demethylase PHF8	84.07%	98.33%
CHEMBL1741221	Q9Y4P1	Cysteine protease ATG4B	83.97%	87.50%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.44%	97.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.09%	94.00%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	82.94%	100.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	82.13%	93.40%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.71%	90.71%
CHEMBL1868	P17948	Vascular endothelial growth factor receptor 1	81.58%	96.47%
CHEMBL2094121	P14867	GABA-A receptor; alpha-1/beta-3/gamma-2	80.72%	95.50%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	80.67%	93.10%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.62%	99.23%
CHEMBL1951	P21397	Monoamine oxidase A	80.44%	91.49%
CHEMBL4979	P13866	Sodium/glucose cotransporter 1	80.32%	98.24%

Plants that contains it

• Anabasis aphylla

Cross-Links

• PubChem: 161313
• LOTUS: LTS0068133
• wikiData: Q27165594