Natural Product: NPC48564

Natural Product ID:  NPC48564
Common Name:   (+/-)Nicotine
IUPAC Name:   3-(1-methylpyrrolidin-2-yl)pyridine
Synonyms:  
Molecular Formula:   C10H14N2
Standard InCHIKey:  SNICXCGAKADSCV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
Canonical SMILES:  CN1CCCC1c1cccnc1
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
NPO12690 Caltha palustris Species Ranunculaceae Eukaryota TCM_Taiwan*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota TCM_Taiwan*
NPO16952 Asclepias syriaca Species Apocynaceae Eukaryota TCM_Taiwan*
NPO17694 Nicotiana tabacum Species Solanaceae Eukaryota TCM_Taiwan*
NPO17694 Nicotiana tabacum Species Solanaceae Eukaryota PMID[11559179]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[21059682]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[21059682]
NPO20295 Eclipta prostrata Species Asteraceae Eukaryota TCM_Taiwan*
NPO20471 Sophora alopecuroides Species Fabaceae Eukaryota TCM_Taiwan*
NPO21528 Equisetum arvense Species Equisetaceae Eukaryota TCM_Taiwan*
NPO24869 Nicotiana rustica Species Solanaceae Eukaryota TCM_Taiwan*
NPO29443 Equisetum palustre Species Equisetaceae Eukaryota TCM_Taiwan*
NPO29769 Lycopodium cernuum Species Lycopodiaceae Eukaryota TCM_Taiwan*
NPO30744 Equisetum hiemale Species Equisetaceae Eukaryota TCM_Taiwan*
NPO3912 Areca catechu Species Arecaceae Eukaryota TCM_Taiwan*
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT412 Protein Complex Neuronal acetylcholine receptor; alpha4/beta2 Rattus norvegicus Ki = 1.26 nM 11405659
NPT3042 Protein Complex Neuronal nicotinic acetylcholine receptor Mus musculus Ki = 1.3 nM 12270194
NPT32 Organism Mus musculus Mus musculus ED50 = 9.9 umol/kg 12270194
NPT32 Organism Mus musculus Mus musculus ED50 = 4.9 umol/kg 12270194
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.6 umol/kg 12270194
NPT412 Protein Complex Neuronal acetylcholine receptor; alpha4/beta2 Rattus norvegicus Ki = 2 nM 15925512
NPT412 Protein Complex Neuronal acetylcholine receptor; alpha4/beta2 Rattus norvegicus Ki = 35 nM 15925512
NPT3043 Individual Protein Choline transporter Mus musculus Ki = 520115.74 nM 20637607
NPT98 Individual Protein HERG Homo sapiens IC50 = 245470.89 nM 21185626
NPT65 Cell Line HepG2 Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 1636 nM PubChem BioAssay data set
NPT2 Others Unspecified Ki = 43700 nM 10.1584/jpestics.17.4_231
NPT1304 Individual Protein Nicotinic acetylcholine receptor alpha 5 subunit Musca domestica Ki = 59900 nM 10.1584/jpestics.17.4_231
NPT3044 Individual Protein Acetylcholinesterase Musca domestica IC50 = 230000 nM 10.1584/jpestics.17.4_231
NPT3044 Individual Protein Acetylcholinesterase Musca domestica IC50 = 620000 nM 10.1584/jpestics.17.4_231
NPT734 Organism Musca domestica Musca domestica FC = 1 10.1584/jpestics.17.4_231
NPT2 Others Unspecified IC50 = 22100 nM 10.1584/jpestics.20.57
NPT2 Others Unspecified IC50 = 35000 nM 10.1584/jpestics.20.57
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens IC50 = 142400 nM Patent: US8609708 B2
NPT240 Individual Protein Cytochrome P450 2A6 Homo sapiens IC50 = 26300 nM Patent: US8609708 B2

  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 NPC48564 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 NPC182570
1.0 High Similarity NPC265605
0.9412 High Similarity NPC27740
0.9035 High Similarity NPC27802
0.8983 High Similarity NPC297486
0.8983 High Similarity NPC471402
0.8983 High Similarity NPC240136
0.8862 High Similarity NPC166424
0.8862 High Similarity NPC146373
0.8862 High Similarity NPC245244
0.8837 High Similarity NPC65408
0.8772 High Similarity NPC76540
0.875 High Similarity NPC91958
0.8699 High Similarity NPC290094
0.8629 High Similarity NPC476322
0.8595 High Similarity NPC143603
0.8594 High Similarity NPC324611
0.8492 Intermediate Similarity NPC169625
0.8492 Intermediate Similarity NPC202957
0.8425 Intermediate Similarity NPC471311
0.8425 Intermediate Similarity NPC471313
0.8403 Intermediate Similarity NPC235843
0.84 Intermediate Similarity NPC46358
0.8359 Intermediate Similarity NPC89490
0.832 Intermediate Similarity NPC329825
0.8295 Intermediate Similarity NPC475090
0.8295 Intermediate Similarity NPC475105
0.8295 Intermediate Similarity NPC329896
0.8295 Intermediate Similarity NPC476131
0.8291 Intermediate Similarity NPC231655
0.8284 Intermediate Similarity NPC110126
0.8271 Intermediate Similarity NPC150259
0.8246 Intermediate Similarity NPC83987
0.8231 Intermediate Similarity NPC282398
0.8231 Intermediate Similarity NPC69914
0.8168 Intermediate Similarity NPC101165
0.8168 Intermediate Similarity NPC471322
0.8162 Intermediate Similarity NPC476454
0.8148 Intermediate Similarity NPC73767
0.8143 Intermediate Similarity NPC40070
0.8134 Intermediate Similarity NPC84911
0.8134 Intermediate Similarity NPC105127
0.8134 Intermediate Similarity NPC251722
0.8134 Intermediate Similarity NPC314102
0.813 Intermediate Similarity NPC476566
0.806 Intermediate Similarity NPC29886
0.806 Intermediate Similarity NPC261195
0.806 Intermediate Similarity NPC96102
0.803 Intermediate Similarity NPC256893
0.803 Intermediate Similarity NPC82295
0.8015 Intermediate Similarity NPC316811
0.8015 Intermediate Similarity NPC32002
0.8015 Intermediate Similarity NPC315348
0.7956 Intermediate Similarity NPC469784
0.7956 Intermediate Similarity NPC469761
0.7956 Intermediate Similarity NPC469768
0.7956 Intermediate Similarity NPC469767
0.7956 Intermediate Similarity NPC469783
0.7956 Intermediate Similarity NPC469779
0.7956 Intermediate Similarity NPC469780
0.7899 Intermediate Similarity NPC469766
0.7872 Intermediate Similarity NPC470111
0.7872 Intermediate Similarity NPC201380
0.7872 Intermediate Similarity NPC179787
0.7868 Intermediate Similarity NPC471312
0.7857 Intermediate Similarity NPC285731
0.7842 Intermediate Similarity NPC190296
0.7832 Intermediate Similarity NPC470233
0.7826 Intermediate Similarity NPC279081
0.7817 Intermediate Similarity NPC321911
0.7801 Intermediate Similarity NPC63545
0.7746 Intermediate Similarity NPC469811
0.773 Intermediate Similarity NPC314372
0.773 Intermediate Similarity NPC86288
0.7727 Intermediate Similarity NPC212125
0.7721 Intermediate Similarity NPC198988
0.7714 Intermediate Similarity NPC20144
0.7698 Intermediate Similarity NPC148140
0.7698 Intermediate Similarity NPC230002
0.7687 Intermediate Similarity NPC56765
0.7681 Intermediate Similarity NPC169433
0.7664 Intermediate Similarity NPC325252
0.7643 Intermediate Similarity NPC473868
0.7643 Intermediate Similarity NPC63157
0.7638 Intermediate Similarity NPC81561
0.7626 Intermediate Similarity NPC104483
0.7622 Intermediate Similarity NPC471957
0.7619 Intermediate Similarity NPC129721
0.7607 Intermediate Similarity NPC213774
0.7606 Intermediate Similarity NPC159856
0.76 Intermediate Similarity NPC473901
0.7571 Intermediate Similarity NPC59084
0.7568 Intermediate Similarity NPC477591
0.7556 Intermediate Similarity NPC315320
0.7552 Intermediate Similarity NPC288838
0.7552 Intermediate Similarity NPC143872
0.7551 Intermediate Similarity NPC51054
0.7551 Intermediate Similarity NPC476464
0.7534 Intermediate Similarity NPC200214
0.7534 Intermediate Similarity NPC325903
0.7517 Intermediate Similarity NPC53947
0.7517 Intermediate Similarity NPC24678
0.7517 Intermediate Similarity NPC105818
0.75 Intermediate Similarity NPC88097
0.75 Intermediate Similarity NPC236711
0.7483 Intermediate Similarity NPC34844
0.7481 Intermediate Similarity NPC41174
0.748 Intermediate Similarity NPC84268
0.7466 Intermediate Similarity NPC470823
0.7463 Intermediate Similarity NPC306397
0.7462 Intermediate Similarity NPC215519
0.745 Intermediate Similarity NPC206819
0.745 Intermediate Similarity NPC293487
0.745 Intermediate Similarity NPC318065
0.7447 Intermediate Similarity NPC2949
0.7442 Intermediate Similarity NPC162689
0.7442 Intermediate Similarity NPC54102
0.7426 Intermediate Similarity NPC22079
0.7417 Intermediate Similarity NPC478184
0.7417 Intermediate Similarity NPC90723
0.7417 Intermediate Similarity NPC478182
0.7415 Intermediate Similarity NPC138842
0.7415 Intermediate Similarity NPC469763
0.7415 Intermediate Similarity NPC141926
0.7415 Intermediate Similarity NPC25008
0.7415 Intermediate Similarity NPC73952
0.7415 Intermediate Similarity NPC259644
0.7415 Intermediate Similarity NPC469765
0.7415 Intermediate Similarity NPC469786
0.7415 Intermediate Similarity NPC469760
0.7413 Intermediate Similarity NPC471323
0.74 Intermediate Similarity NPC215584
0.74 Intermediate Similarity NPC44773
0.7397 Intermediate Similarity NPC473878
0.7379 Intermediate Similarity NPC477974
0.7379 Intermediate Similarity NPC21605
0.7365 Intermediate Similarity NPC75540
0.7365 Intermediate Similarity NPC211572
0.7365 Intermediate Similarity NPC80597
0.7365 Intermediate Similarity NPC212376
0.7365 Intermediate Similarity NPC70922
0.7347 Intermediate Similarity NPC216713
0.7333 Intermediate Similarity NPC41257
0.7333 Intermediate Similarity NPC165370
0.7324 Intermediate Similarity NPC115611
0.7319 Intermediate Similarity NPC322488
0.731 Intermediate Similarity NPC316069
0.7303 Intermediate Similarity NPC317105
0.729 Intermediate Similarity NPC82331
0.7286 Intermediate Similarity NPC29702
0.7286 Intermediate Similarity NPC218268
0.7285 Intermediate Similarity NPC470204
0.7285 Intermediate Similarity NPC122141
0.7279 Intermediate Similarity NPC471589
0.7267 Intermediate Similarity NPC286427
0.7267 Intermediate Similarity NPC469897
0.7252 Intermediate Similarity NPC11863
0.7241 Intermediate Similarity NPC467188
0.7241 Intermediate Similarity NPC470440
0.7239 Intermediate Similarity NPC122718
0.7237 Intermediate Similarity NPC470203
0.7237 Intermediate Similarity NPC124542
0.7237 Intermediate Similarity NPC282231
0.7237 Intermediate Similarity NPC59779
0.7237 Intermediate Similarity NPC478185
0.7237 Intermediate Similarity NPC471177
0.7237 Intermediate Similarity NPC225018
0.7234 Intermediate Similarity NPC125746
0.723 Intermediate Similarity NPC470679
0.723 Intermediate Similarity NPC472260
0.723 Intermediate Similarity NPC217021
0.7226 Intermediate Similarity NPC91895
0.7218 Intermediate Similarity NPC56856
0.7208 Intermediate Similarity NPC98187
0.7208 Intermediate Similarity NPC478183
0.7208 Intermediate Similarity NPC56233
0.72 Intermediate Similarity NPC469785
0.7194 Intermediate Similarity NPC330326
0.719 Intermediate Similarity NPC78375
0.719 Intermediate Similarity NPC469813
0.719 Intermediate Similarity NPC476446
0.7171 Intermediate Similarity NPC279918
0.7162 Intermediate Similarity NPC33421
0.7152 Intermediate Similarity NPC474958
0.7152 Intermediate Similarity NPC216643
0.7152 Intermediate Similarity NPC469762
0.7152 Intermediate Similarity NPC280852
0.7143 Intermediate Similarity NPC105811
0.7143 Intermediate Similarity NPC274229
0.7143 Intermediate Similarity NPC100726
0.7133 Intermediate Similarity NPC476219
0.7133 Intermediate Similarity NPC476297
0.7133 Intermediate Similarity NPC477815
0.7132 Intermediate Similarity NPC250361
0.7132 Intermediate Similarity NPC135488
0.7132 Intermediate Similarity NPC476140
0.7123 Intermediate Similarity NPC204141
0.7123 Intermediate Similarity NPC469525
0.7115 Intermediate Similarity NPC32534
0.7115 Intermediate Similarity NPC194411

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC48564 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 NPD270 Clinical (unspecified phase)
1.0 High Similarity NPD271 Approved
1.0 High Similarity NPD268 Approved
0.9244 High Similarity NPD748 Clinical (unspecified phase)
0.896 High Similarity NPD3475 Approved
0.896 High Similarity NPD3476 Approved
0.8837 High Similarity NPD201 Phase 2
0.8837 High Similarity NPD200 Phase 2
0.872 High Similarity NPD2119 Approved
0.872 High Similarity NPD2118 Approved
0.872 High Similarity NPD992 Clinical (unspecified phase)
0.872 High Similarity NPD991 Phase 2
0.8655 High Similarity NPD269 Clinical (unspecified phase)
0.864 High Similarity NPD9583 Approved
0.8629 High Similarity NPD9357 Approved
0.8559 High Similarity NPD4824 Approved
0.8559 High Similarity NPD4823 Approved
0.8462 Intermediate Similarity NPD4030 Approved
0.8462 Intermediate Similarity NPD4028 Approved
0.8462 Intermediate Similarity NPD4029 Approved
0.8425 Intermediate Similarity NPD1598 Discontinued
0.8387 Intermediate Similarity NPD9598 Discontinued
0.8361 Intermediate Similarity NPD9392 Approved
0.8361 Intermediate Similarity NPD9396 Approved
0.8321 Intermediate Similarity NPD3942 Approved
0.8321 Intermediate Similarity NPD3944 Approved
0.8308 Intermediate Similarity NPD803 Phase 1
0.8291 Intermediate Similarity NPD9099 Clinical (unspecified phase)
0.8291 Intermediate Similarity NPD9098 Phase 3
0.8284 Intermediate Similarity NPD768 Clinical (unspecified phase)
0.8244 Intermediate Similarity NPD1995 Approved
0.8244 Intermediate Similarity NPD1994 Approved
0.8244 Intermediate Similarity NPD1993 Approved
0.8235 Intermediate Similarity NPD2006 Phase 2
0.8231 Intermediate Similarity NPD715 Phase 3
0.8148 Intermediate Similarity NPD786 Approved
0.8129 Intermediate Similarity NPD4547 Phase 3
0.806 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.806 Intermediate Similarity NPD206 Clinical (unspecified phase)
0.8045 Intermediate Similarity NPD3385 Approved
0.8029 Intermediate Similarity NPD1722 Approved
0.8015 Intermediate Similarity NPD2070 Approved
0.8015 Intermediate Similarity NPD2073 Approved
0.8015 Intermediate Similarity NPD2068 Approved
0.8015 Intermediate Similarity NPD2072 Approved
0.8015 Intermediate Similarity NPD2071 Approved
0.8015 Intermediate Similarity NPD3654 Approved
0.8015 Intermediate Similarity NPD2069 Approved
0.8015 Intermediate Similarity NPD2074 Approved
0.8015 Intermediate Similarity NPD2075 Approved
0.7985 Intermediate Similarity NPD2142 Approved
0.7985 Intermediate Similarity NPD2140 Approved
0.7985 Intermediate Similarity NPD2141 Approved
0.797 Intermediate Similarity NPD1627 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD2430 Phase 2
0.7926 Intermediate Similarity NPD792 Discontinued
0.7926 Intermediate Similarity NPD490 Clinical (unspecified phase)
0.7801 Intermediate Similarity NPD7469 Discontinued
0.7778 Intermediate Similarity NPD2837 Discontinued
0.7746 Intermediate Similarity NPD4703 Approved
0.7746 Intermediate Similarity NPD4702 Approved
0.7727 Intermediate Similarity NPD9284 Approved
0.7721 Intermediate Similarity NPD272 Approved
0.7714 Intermediate Similarity NPD2007 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD4637 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD3717 Discontinued
0.7692 Intermediate Similarity NPD3100 Discontinued
0.766 Intermediate Similarity NPD1918 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD3813 Approved
0.7639 Intermediate Similarity NPD2465 Approved
0.7639 Intermediate Similarity NPD2466 Phase 3
0.7639 Intermediate Similarity NPD2462 Phase 3
0.763 Intermediate Similarity NPD9726 Discontinued
0.7626 Intermediate Similarity NPD945 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD6554 Approved
0.7609 Intermediate Similarity NPD45 Approved
0.7589 Intermediate Similarity NPD4510 Discontinued
0.7584 Intermediate Similarity NPD5315 Discontinued
0.7571 Intermediate Similarity NPD1395 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD9206 Approved
0.7556 Intermediate Similarity NPD9207 Approved
0.7554 Intermediate Similarity NPD2896 Discontinued
0.7552 Intermediate Similarity NPD6148 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD3113 Approved
0.7551 Intermediate Similarity NPD473 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD3112 Approved
0.7551 Intermediate Similarity NPD3114 Approved
0.7551 Intermediate Similarity NPD3115 Approved
0.7551 Intermediate Similarity NPD2580 Discontinued
0.7537 Intermediate Similarity NPD1095 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD649 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD3323 Discontinued
0.7517 Intermediate Similarity NPD2172 Phase 1
0.75 Intermediate Similarity NPD2865 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1192 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2089 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD2165 Phase 1
0.7483 Intermediate Similarity NPD175 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD2385 Clinical (unspecified phase)
0.7463 Intermediate Similarity NPD9080 Approved
0.7448 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD1649 Discontinued
0.7447 Intermediate Similarity NPD9599 Approved
0.7431 Intermediate Similarity NPD1683 Approved
0.7415 Intermediate Similarity NPD2012 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD751 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD1254 Approved
0.741 Intermediate Similarity NPD1256 Approved
0.741 Intermediate Similarity NPD1255 Approved
0.741 Intermediate Similarity NPD1253 Approved
0.7403 Intermediate Similarity NPD5934 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD6454 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD5020 Approved
0.7386 Intermediate Similarity NPD4779 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD6497 Approved
0.7379 Intermediate Similarity NPD1270 Approved
0.7379 Intermediate Similarity NPD2110 Approved
0.7379 Intermediate Similarity NPD1661 Suspended
0.7376 Intermediate Similarity NPD174 Discontinued
0.7372 Intermediate Similarity NPD809 Discontinued
0.7351 Intermediate Similarity NPD6771 Discontinued
0.7351 Intermediate Similarity NPD1853 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD60 Approved
0.7343 Intermediate Similarity NPD4047 Discontinued
0.7333 Intermediate Similarity NPD5255 Approved
0.7329 Intermediate Similarity NPD1183 Approved
0.7324 Intermediate Similarity NPD165 Phase 2
0.732 Intermediate Similarity NPD4174 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD1380 Discovery
0.7292 Intermediate Similarity NPD1352 Discontinued
0.729 Intermediate Similarity NPD3610 Approved
0.729 Intermediate Similarity NPD3609 Approved
0.7285 Intermediate Similarity NPD1404 Approved
0.7285 Intermediate Similarity NPD1403 Approved
0.7279 Intermediate Similarity NPD1031 Discontinued
0.7273 Intermediate Similarity NPD2641 Approved
0.7273 Intermediate Similarity NPD1343 Approved
0.7273 Intermediate Similarity NPD2390 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2640 Approved
0.7267 Intermediate Similarity NPD2581 Approved
0.7267 Intermediate Similarity NPD2582 Approved
0.7261 Intermediate Similarity NPD6044 Discontinued
0.7248 Intermediate Similarity NPD977 Approved
0.7248 Intermediate Similarity NPD975 Approved
0.7248 Intermediate Similarity NPD976 Approved
0.7234 Intermediate Similarity NPD9506 Approved
0.7231 Intermediate Similarity NPD8840 Approved
0.723 Intermediate Similarity NPD4641 Discontinued
0.723 Intermediate Similarity NPD1257 Approved
0.7226 Intermediate Similarity NPD5436 Phase 1
0.7222 Intermediate Similarity NPD1427 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD704 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD5787 Discontinued
0.7218 Intermediate Similarity NPD1561 Phase 2
0.7211 Intermediate Similarity NPD5538 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD3943 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD2150 Discontinued
0.7197 Intermediate Similarity NPD5065 Approved
0.7194 Intermediate Similarity NPD9100 Approved
0.719 Intermediate Similarity NPD8129 Discovery
0.7183 Intermediate Similarity NPD203 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD3339 Approved
0.7181 Intermediate Similarity NPD1917 Discontinued
0.7179 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD2185 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD4640 Approved
0.7161 Intermediate Similarity NPD2333 Discontinued
0.7161 Intermediate Similarity NPD4639 Approved
0.7161 Intermediate Similarity NPD4638 Approved
0.7153 Intermediate Similarity NPD1383 Phase 3
0.7153 Intermediate Similarity NPD1382 Phase 2
0.7152 Intermediate Similarity NPD6375 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1328 Approved
0.7133 Intermediate Similarity NPD2809 Approved
0.7133 Intermediate Similarity NPD4804 Approved
0.7124 Intermediate Similarity NPD8026 Phase 1
0.7124 Intermediate Similarity NPD4384 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD3262 Approved
0.7114 Intermediate Similarity NPD5965 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD4181 Approved
0.7105 Intermediate Similarity NPD5418 Discontinued
0.7101 Intermediate Similarity NPD9305 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD947 Approved
0.7097 Intermediate Similarity NPD2639 Approved
0.7097 Intermediate Similarity NPD3929 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD2642 Approved
0.7086 Intermediate Similarity NPD6026 Approved
0.7086 Intermediate Similarity NPD2748 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD3583 Phase 2
0.707 Intermediate Similarity NPD3117 Approved
0.707 Intermediate Similarity NPD3116 Approved
0.707 Intermediate Similarity NPD1567 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD4811 Discontinued
0.7063 Intermediate Similarity NPD2323 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD3341 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD2511 Approved
0.7055 Intermediate Similarity NPD5254 Discontinued
0.7051 Intermediate Similarity NPD7287 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD4075 Phase 2
0.7039 Intermediate Similarity NPD5300 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   942
ChEMBL   CHEMBL440464
ZINC  

Physicochemical Properties

Molecular Weight:  162.12
ALogP:  -0.4993
MLogP:  2.34
XLogP:  1.485
# Rotatable Bonds:  2
Polar Surface Area:  16.13
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  12

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs