Natural Product: NPC14437

Natural Product ID:  NPC14437
Common Name:   Arecoline
IUPAC Name:   methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
Synonyms:  
Molecular Formula:   C8H13NO2
Standard InCHIKey:  HJJPJSXJAXAIPN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
Canonical SMILES:  COC(=O)C1=CCCN(C1)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO29577 Arecae semen NA NA NA TCMSP*
NPO3912 Areca catechu Species Arecaceae Eukaryota TM-MC*
NPO6483 Semen arecae preparata NA NA NA TCMID*
NPO3912 Areca catechu Species Arecaceae Eukaryota TCMID*
NPO5949 Pericarpium arecae NA NA NA TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 20 nM 1732522
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 1740 nM 1732522
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Ratio = 87 1732522
NPT413 Protein Complex Neuronal acetylcholine receptor Rattus norvegicus Ki = 224 nM 10.1016/S0960-894X(01)80157-8
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ki = 40 nM 10.1016/S0960-894X(01)80157-8
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Inhibition = 43 % 10891110
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ki = 31 nM 10891110
NPT2 Others Unspecified Ratio > 3000 10891110
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens Inhibition = 13 % 10891110
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens Ki = 14 nM 10891110
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens Ki = 40 nM 10891110
NPT265 Individual Protein Muscarinic acetylcholine receptor M4 Homo sapiens Ki = 2400 nM 10891110
NPT265 Individual Protein Muscarinic acetylcholine receptor M4 Homo sapiens Ki = 26 nM 10891110
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ki = 1900 nM 10891110
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ki = 5.3 nM 10891110
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio = 360 10891110
NPT2 Others Unspecified IC50 = 1000 nM 9111297
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 110 % 9111297
NPT1295 Individual Protein Muscarinic acetylcholine receptor M1 Mus musculus Inhibition = 99.4 % 9111297
NPT1295 Individual Protein Muscarinic acetylcholine receptor M1 Mus musculus Ki = 3.33 nM 9111297
NPT1295 Individual Protein Muscarinic acetylcholine receptor M1 Mus musculus Inhibition = 101 % 9111297
NPT1295 Individual Protein Muscarinic acetylcholine receptor M1 Mus musculus Ki = 5.45 nM 9111297
NPT1296 Individual Protein Muscarinic acetylcholine receptor M2 Mus musculus Inhibition = 65 % 9111297
NPT1296 Individual Protein Muscarinic acetylcholine receptor M2 Mus musculus Inhibition = 35 % 9111297
NPT1297 Individual Protein Muscarinic acetylcholine receptor M3 Mus musculus Inhibition = 100 % 9111297
NPT1295 Individual Protein Muscarinic acetylcholine receptor M1 Mus musculus EC50 = 27000 nM 9111297
NPT1297 Individual Protein Muscarinic acetylcholine receptor M3 Mus musculus EC50 = 12000 nM 9111297
NPT1298 Cell Line A9 Mus musculus IC50 = 1200 nM 9111297
NPT1298 Cell Line A9 Mus musculus Inhibition = 12 % 9111297
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens IC50 = 115500 nM 11597415
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens IC50 = 115 nM 11597415
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens Ratio = 1001.62 11597415
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio = 560 1732546
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus EC50 >= 220 nM 7990109
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens EC50 = 83 nM 7990109
NPT1299 Others Muscarinic acetylcholine receptors; M2 & M3 Homo sapiens EC50 = 140 nM 7990109
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 1000 nM 8064804
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 1.60E-06 nM 9703467
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 2.2 nM 9703467
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 77 nM 1613751
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 1300 nM 1613751
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus IC50 = 545 nM 1613751
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Inhibition = 95 % 1613751
NPT938 Organism Cavia porcellus Cavia porcellus IC50 = 600 nM 1613751
NPT938 Organism Cavia porcellus Cavia porcellus Inhibition = 100 % 1613751
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 28000 nM 7783150
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 1700 nM 7783150
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 2100 nM 7783150
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 16 nM 7783150
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens EC50 = 3200 nM 7783150
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens EC50 = 25 nM 7783150
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens EC50 = 340 nM 7783150
NPT265 Individual Protein Muscarinic acetylcholine receptor M4 Homo sapiens EC50 = 130 nM 7783150
NPT266 Individual Protein Muscarinic acetylcholine receptor M5 Homo sapiens EC50 = 600 nM 7783150
NPT1300 Others Muscarinic acetylcholine receptors; M1 & M2 Homo sapiens Ratio = 0.078 7783150
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 24 nM 9873644
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens EC50 = 5603 nM 9873644
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens EC50 = 10000 nM 9873644
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 115 nM 1560440
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 25400 nM 1560440
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio = 222 1560440
NPT1301 Individual Protein Muscarinic acetylcholine receptor M2 Rattus norvegicus IC50 = 11000 nM 3385727
NPT1301 Individual Protein Muscarinic acetylcholine receptor M2 Rattus norvegicus IC50 = 590 nM 3385727
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 1100 nM 3385727
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 1.9 nM 3385727
NPT938 Organism Cavia porcellus Cavia porcellus EC50 = 150 nM 3385727
NPT938 Organism Cavia porcellus Cavia porcellus IC50 > 1000 nM 3385727
NPT2 Others Unspecified Ratio = 0.07 3385727
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 5600 nM 3712371
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens EC50 = 100 nM 3712371
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens Ki = 29000 nM 12747793
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens Ki = 2400 nM 12747793
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens Ki = 43000 nM 12747793
NPT265 Individual Protein Muscarinic acetylcholine receptor M4 Homo sapiens Ki = 60000 nM 12747793
NPT266 Individual Protein Muscarinic acetylcholine receptor M5 Homo sapiens Ki = 56000 nM 12747793
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 1737.8 nM 10.1016/S0960-894X(00)80178-X
NPT2 Others Unspecified Ratio = 560 3339620
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio = 560 2213823
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 77 nM 10.1016/S0960-894X(00)80536-3
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 1300 nM 10.1016/S0960-894X(00)80536-3
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus IC50 = 545 nM 10.1016/S0960-894X(00)80536-3
NPT419 Organism Oryctolagus cuniculus Oryctolagus cuniculus Inhibition = 95 % 10.1016/S0960-894X(00)80536-3
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 1000 nM 10.1016/S0960-894X(00)80531-4
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio = 560 2319559
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 115 nM 9435896
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 19000 nM 9435896
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens IC50 = 65000 nM 9435896
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens IC50 = 1800 nM 9435896
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens IC50 = 11000 nM 9435896
NPT265 Individual Protein Muscarinic acetylcholine receptor M4 Homo sapiens IC50 = 13500 nM 9435896
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.022 mg/kg 9435896
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.024 mg/kg 9435896
NPT2 Others Unspecified Ratio = 0.07 9435896
NPT2 Others Unspecified Ratio = 0.075 9435896
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens Ratio = 165 9435896
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 115 nM 1619616
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 25400 nM 1619616
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio = 222 1619616
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ki = 7120 nM 7739014
NPT2 Others Unspecified Ki = 7.4 nM 7739014
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio = 960 7739014
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 77 nM 1433209
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 1300 nM 1433209
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens IC50 = 545 nM 1433209
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 77 nM 7658434
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 1300 nM 7658434
NPT1298 Cell Line A9 Mus musculus EC50 = 3080000 nM 7658434
NPT2 Others Unspecified Ratio = 604 10.1016/S0960-894X(01)80787-3
NPT1301 Individual Protein Muscarinic acetylcholine receptor M2 Rattus norvegicus IC50 = 9150 nM 10.1016/S0960-894X(01)80787-3
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 11920 nM 10.1016/S0960-894X(01)80787-3
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens Ratio = 0.8 10.1016/S0960-894X(01)80787-3
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 77 nM 1995893
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 106000 nM 1995893
NPT1302 Protein Family Muscarinic acetylcholine receptor Homo sapiens EC50 = 73 nM 1995893
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 62.7 nM 9438027
NPT32 Organism Mus musculus Mus musculus ED50 = 16 mg/kg 9438027
NPT32 Organism Mus musculus Mus musculus ED50 = 15 mg/kg 9438027
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens IC50 = 145000 nM 9438027
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens IC50 = 4500 nM 9438027
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens IC50 = 58000 nM 9438027
NPT265 Individual Protein Muscarinic acetylcholine receptor M4 Homo sapiens IC50 = 47500 nM 9438027
NPT266 Individual Protein Muscarinic acetylcholine receptor M5 Homo sapiens IC50 = 62500 nM 9438027
NPT412 Protein Complex Neuronal acetylcholine receptor; alpha4/beta2 Rattus norvegicus Ki = 270 nM 9622546
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Inhibition = 43 % 9622546
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens Inhibition = 13 % 9622546
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens Ki = 40 nM 9622546
NPT264 Individual Protein Muscarinic acetylcholine receptor M3 Homo sapiens Ki = 5700 nM 9622546
NPT265 Individual Protein Muscarinic acetylcholine receptor M4 Homo sapiens Ki = 2400 nM 9622546
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Inhibition = 13 % 9622546
NPT1301 Individual Protein Muscarinic acetylcholine receptor M2 Rattus norvegicus Ki = 40 nM 9622546
NPT1303 Individual Protein Muscarinic acetylcholine receptor M3 Rattus norvegicus Ki = 5700 nM 9622546
NPT432 Individual Protein Muscarinic acetylcholine receptor M4 Rattus norvegicus Ki = 2400 nM 9622546
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 1000 nM 8464038
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio = 560 2002451
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 120 nM 10.1016/S0960-894X(01)80326-7
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus IC50 = 25000 nM 10.1016/S0960-894X(01)80326-7
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio 210 10.1016/S0960-894X(01)80326-7
NPT422 Protein Family Muscarinic acetylcholine receptor Rattus norvegicus Ratio = 560 2362286
NPT262 Individual Protein Muscarinic acetylcholine receptor M1 Homo sapiens Ki = 29512.09 nM 18182302
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens Ki = 2454.71 nM 18182302
NPT266 Individual Protein Muscarinic acetylcholine receptor M5 Homo sapiens Ki = 56234.13 nM 18182302
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Ki = 86000 nM 18359231
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 469000 nM 18359231
NPT32 Organism Mus musculus Mus musculus Activity = 64 % 19261477
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Ki = 86000 nM 19717214
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 469000 nM 19717214
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Ki = 88000 nM 19595599
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus IC50 = 460000 nM 19595599
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 1000 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency = 35.5 nM PubChem BioAssay data set
NPT583 Individual Protein Inositol monophosphatase 1 Rattus norvegicus Potency = 3548.1 nM PubChem BioAssay data set
NPT442 Individual Protein Ferritin light chain Equus caballus Potency = 316.2 nM PubChem BioAssay data set
NPT533 Protein-Protein Interaction Runt-related transcription factor 1/Core-binding factor subunit beta Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 16944.1 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 1000 nM PubChem BioAssay data set
NPT698 Individual Protein Regulator of G-protein signaling 4 Homo sapiens Potency 3358.7 nM PubChem BioAssay data set
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 40533.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Ki = 240000 nM 10.1584/jpestics.17.4_231
NPT1304 Individual Protein Nicotinic acetylcholine receptor alpha 5 subunit Musca domestica Ki = 516000 nM 10.1584/jpestics.17.4_231
NPT2 Others Unspecified Potency 14950.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 26832.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13324.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 14960.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 94.3 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 6740 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 44668.4 nM PubChem BioAssay data set
NPT1305 Individual Protein Voltage-dependent L-type calcium channel subunit alpha-1C Cavia porcellus IC50 = 33730 nM

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC14437 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC270412
0.8871 High Similarity NPC112312
0.8525 High Similarity NPC305973
0.7576 Intermediate Similarity NPC4668
0.7576 Intermediate Similarity NPC133758
0.6761 Remote Similarity NPC98329
0.6761 Remote Similarity NPC7392
0.6667 Remote Similarity NPC191643
0.6613 Remote Similarity NPC15789
0.6613 Remote Similarity NPC236338
0.6585 Remote Similarity NPC296589
0.6575 Remote Similarity NPC90782
0.6533 Remote Similarity NPC252503
0.6515 Remote Similarity NPC150717
0.65 Remote Similarity NPC270706
0.6393 Remote Similarity NPC128280
0.6364 Remote Similarity NPC173157
0.631 Remote Similarity NPC469861
0.631 Remote Similarity NPC469860
0.631 Remote Similarity NPC130436
0.6269 Remote Similarity NPC221763
0.6212 Remote Similarity NPC218486
0.619 Remote Similarity NPC234084
0.6143 Remote Similarity NPC309408
0.6094 Remote Similarity NPC275316
0.5972 Remote Similarity NPC2328
0.597 Remote Similarity NPC478120
0.5968 Remote Similarity NPC26600
0.5968 Remote Similarity NPC47946
0.5949 Remote Similarity NPC281154
0.5946 Remote Similarity NPC78625
0.5942 Remote Similarity NPC249850
0.5942 Remote Similarity NPC135863
0.5942 Remote Similarity NPC293437
0.5938 Remote Similarity NPC135698
0.5915 Remote Similarity NPC79756
0.5873 Remote Similarity NPC197467
0.5867 Remote Similarity NPC470442
0.5857 Remote Similarity NPC21946
0.5857 Remote Similarity NPC254095
0.5811 Remote Similarity NPC273600
0.5797 Remote Similarity NPC51846
0.5775 Remote Similarity NPC82465
0.5738 Remote Similarity NPC57923
0.5733 Remote Similarity NPC475555
0.5733 Remote Similarity NPC475675
0.573 Remote Similarity NPC81195
0.5714 Remote Similarity NPC129150
0.5714 Remote Similarity NPC294938
0.5714 Remote Similarity NPC477688
0.5696 Remote Similarity NPC326126
0.5694 Remote Similarity NPC130953
0.5667 Remote Similarity NPC297608
0.5652 Remote Similarity NPC478117
0.5638 Remote Similarity NPC241426
0.5634 Remote Similarity NPC223679
0.5634 Remote Similarity NPC189700
0.5616 Remote Similarity NPC151648
0.5606 Remote Similarity NPC221467

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC14437 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD9418 Clinical (unspecified phase)
0.6761 Remote Similarity NPD9137 Approved
0.6613 Remote Similarity NPD9437 Clinical (unspecified phase)
0.6579 Remote Similarity NPD1452 Discontinued
0.5909 Remote Similarity NPD9422 Clinical (unspecified phase)
0.5833 Remote Similarity NPD3205 Discontinued
0.5758 Remote Similarity NPD6927 Phase 3

Structure

External Identifiers

PubChem CID   2230
ChEMBL   CHEMBL7303
ZINC  

Physicochemical Properties

Molecular Weight:  155.09
ALogP:  0.1341
MLogP:  2.01
XLogP:  0.172
# Rotatable Bonds:  4
Polar Surface Area:  29.54
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  11

Download Data

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Biological Activities  
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