Natural Product: NPC136349

Natural Product ID:  NPC136349
Common Name:   Methylthioadenosine
IUPAC Name:   (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Synonyms:   5-Methyl-Thioadenosine; Methylthioadenosine
Molecular Formula:   C11H15N5O3S
Standard InCHIKey:  WUUGFSXJNOTRMR-IOSLPCCCSA-N
Standard InCHI:  InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
Canonical SMILES:  CSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
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
NPO1797 Homo sapiens Species Hominidae Eukaryota DOI[10.1038/nbt.2488]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine PMID[9129323]
NPO20338 Mus musculus Species Muridae Eukaryota PMID[19425150]
NPO21658 Saccharomyces cerevisiae Species Saccharomycetaceae Eukaryota PMID[24678285]
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]
NPO8874 Glehnia littoralis Species Apiaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 150 nM 15084123
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 240 nM 15084123
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ki = 210 nM 15084123
NPT1316 Individual Protein Adenosine A2a receptor Rattus norvegicus Ki = 1130 nM 15084123
NPT1316 Individual Protein Adenosine A2a receptor Rattus norvegicus Ki = 1180 nM 15084123
NPT4059 Individual Protein Adenosine A2b receptor Homo sapiens Ki = 13900 nM 15084123
NPT4059 Individual Protein Adenosine A2b receptor Homo sapiens Ki = 8200 nM 15084123
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens Ki = 680 nM 15084123
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus IC50 = 680 nM 15084123
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus IC50 = 15100 nM 15084123
NPT1315 Individual Protein Adenosine A1 receptor Rattus norvegicus Ratio = 22.2 15084123
NPT218 Individual Protein Adenosine A3 receptor Homo sapiens IC50 = 71000 nM 15084123
NPT4545 Individual Protein Indolethylamine N-methyltransferase Homo sapiens Ki = 700000 nM 6620306
NPT137 Cell Line L1210 Mus musculus IC50 = 600000 nM 2496231
NPT1864 Cell Line L5178Y Mus musculus IC50 = 60000 nM 2496231
NPT137 Cell Line L1210 Mus musculus Activity = 3.64 nM (10e6*cells)-1 2496231
NPT137 Cell Line L1210 Mus musculus Activity = 1.59 nM (10e6*cells)-1 2496231
NPT137 Cell Line L1210 Mus musculus Activity = 0.2 nM (10e6*cells)-1 2496231
NPT1864 Cell Line L5178Y Mus musculus Activity = 1.24 nM (10e6*cells)-1 2496231
NPT1864 Cell Line L5178Y Mus musculus Activity = 3.03 nM (10e6*cells)-1 2496231
NPT1864 Cell Line L5178Y Mus musculus Activity = 0.47 nM (10e6*cells)-1 2496231
NPT4546 Individual Protein Catechol O-methyltransferase Homo sapiens Ki > 5400000 nM 7310802
NPT865 Individual Protein Fatty acid synthase Homo sapiens Ki = 1500000 nM 15026045
NPT4547 Individual Protein Spermidine synthase Rattus norvegicus Activity = 44 % 7241513
NPT4547 Individual Protein Spermidine synthase Rattus norvegicus Activity = 12 % 7241513
NPT4547 Individual Protein Spermidine synthase Rattus norvegicus Activity = 41 % 7241513
NPT4547 Individual Protein Spermidine synthase Rattus norvegicus Activity = 9 % 7241513
NPT137 Cell Line L1210 Mus musculus IC50 = 850000 nM 1908523
NPT1864 Cell Line L5178Y Mus musculus IC50 = 200000 nM 1908523
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 = 150000 nM 1908523
NPT112 Cell Line MOLT-4 Homo sapiens IC50 = 11000 nM 1908523
NPT137 Cell Line L1210 Mus musculus Activity = 1.93 1908523
NPT137 Cell Line L1210 Mus musculus Activity = 1.22 1908523
NPT137 Cell Line L1210 Mus musculus Activity = 0.19 1908523
NPT1864 Cell Line L5178Y Mus musculus Activity = 1.85 1908523
NPT1864 Cell Line L5178Y Mus musculus Activity = 2.79 1908523
NPT1864 Cell Line L5178Y Mus musculus Activity = 0.43 1908523
NPT912 Individual Protein Adenosylhomocysteinase Homo sapiens Activity = 101 % 1908523
NPT912 Individual Protein Adenosylhomocysteinase Homo sapiens Activity = 94 % 1908523
NPT912 Individual Protein Adenosylhomocysteinase Homo sapiens Activity = 86 % 1908523
NPT912 Individual Protein Adenosylhomocysteinase Homo sapiens Activity = 66 % 1908523
NPT912 Individual Protein Adenosylhomocysteinase Homo sapiens Activity = 48 % 1908523
NPT4549 Individual Protein S-methyl-5-thioadenosine phosphorylase Homo sapiens Ratio = 0.0001 1/uM*sec 15911263
NPT4549 Individual Protein S-methyl-5-thioadenosine phosphorylase Homo sapiens Ratio = 3.2 1/uM*sec 15911263
NPT4551 Individual Protein Spermidine synthase Plasmodium falciparum IC50 = 159000 nM 18410081
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 100000 nM 17954686
NPT2 Others Unspecified Activity = 100 % 17954686

  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 NPC136349 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
0.9643 High Similarity NPC328479
0.9444 High Similarity NPC195140
0.9412 High Similarity NPC317821
0.9078 High Similarity NPC189068
0.9067 High Similarity NPC325906
0.9014 High Similarity NPC309832
0.9014 High Similarity NPC219313
0.9007 High Similarity NPC156461
0.9007 High Similarity NPC107374
0.9007 High Similarity NPC21448
0.9 High Similarity NPC229974
0.9 High Similarity NPC324484
0.8993 High Similarity NPC161659
0.8993 High Similarity NPC209525
0.8944 High Similarity NPC164665
0.8881 High Similarity NPC269827
0.8865 High Similarity NPC314152
0.8786 High Similarity NPC129756
0.8707 High Similarity NPC472816
0.8639 High Similarity NPC211025
0.8639 High Similarity NPC185991
0.8639 High Similarity NPC85689
0.8581 High Similarity NPC321814
0.8562 High Similarity NPC121222
0.8523 High Similarity NPC212551
0.8523 High Similarity NPC130586
0.8523 High Similarity NPC302778
0.8523 High Similarity NPC164952
0.8477 Intermediate Similarity NPC316618
0.8477 Intermediate Similarity NPC239737
0.8467 Intermediate Similarity NPC174802
0.8451 Intermediate Similarity NPC33996
0.8446 Intermediate Similarity NPC150853
0.8411 Intermediate Similarity NPC224076
0.8389 Intermediate Similarity NPC161224
0.8355 Intermediate Similarity NPC226245
0.8333 Intermediate Similarity NPC207633
0.8313 Intermediate Similarity NPC189261
0.817 Intermediate Similarity NPC52238
0.8117 Intermediate Similarity NPC311197
0.8117 Intermediate Similarity NPC313754
0.8117 Intermediate Similarity NPC54320
0.8089 Intermediate Similarity NPC323091
0.8056 Intermediate Similarity NPC320818
0.7888 Intermediate Similarity NPC290959
0.7771 Intermediate Similarity NPC93365
0.7764 Intermediate Similarity NPC261595
0.7716 Intermediate Similarity NPC324033
0.7716 Intermediate Similarity NPC321458
0.7697 Intermediate Similarity NPC326529
0.7669 Intermediate Similarity NPC326082
0.7651 Intermediate Similarity NPC324198
0.7651 Intermediate Similarity NPC319100
0.75 Intermediate Similarity NPC262926
0.745 Intermediate Similarity NPC61198
0.7405 Intermediate Similarity NPC321052
0.7384 Intermediate Similarity NPC24589
0.7381 Intermediate Similarity NPC313897
0.7356 Intermediate Similarity NPC282458
0.7356 Intermediate Similarity NPC78941
0.7347 Intermediate Similarity NPC104011
0.7248 Intermediate Similarity NPC324009
0.7237 Intermediate Similarity NPC30326
0.7208 Intermediate Similarity NPC186619
0.72 Intermediate Similarity NPC319221
0.7179 Intermediate Similarity NPC89147
0.7179 Intermediate Similarity NPC274384
0.7115 Intermediate Similarity NPC318590
0.7115 Intermediate Similarity NPC211820
0.7115 Intermediate Similarity NPC251233
0.707 Intermediate Similarity NPC177169
0.707 Intermediate Similarity NPC317746
0.7051 Intermediate Similarity NPC315642
0.7051 Intermediate Similarity NPC74306
0.7025 Intermediate Similarity NPC64705
0.7025 Intermediate Similarity NPC232408
0.6966 Remote Similarity NPC313514
0.6957 Remote Similarity NPC326694
0.6934 Remote Similarity NPC476564
0.6908 Remote Similarity NPC57279
0.6897 Remote Similarity NPC327579
0.6882 Remote Similarity NPC276373
0.6845 Remote Similarity NPC5802
0.6838 Remote Similarity NPC87981
0.6838 Remote Similarity NPC174114
0.6824 Remote Similarity NPC33382
0.6809 Remote Similarity NPC157821
0.6784 Remote Similarity NPC125659
0.6784 Remote Similarity NPC168702
0.6779 Remote Similarity NPC248007
0.6776 Remote Similarity NPC246193
0.6705 Remote Similarity NPC222174
0.6647 Remote Similarity NPC14590
0.6588 Remote Similarity NPC321393
0.6577 Remote Similarity NPC139776
0.6573 Remote Similarity NPC4837
0.6573 Remote Similarity NPC312187
0.6452 Remote Similarity NPC287876
0.6391 Remote Similarity NPC472834
0.6387 Remote Similarity NPC14330
0.6338 Remote Similarity NPC18335
0.6275 Remote Similarity NPC109322
0.6256 Remote Similarity NPC250178
0.62 Remote Similarity NPC189314
0.6099 Remote Similarity NPC164845
0.6093 Remote Similarity NPC68938
0.6084 Remote Similarity NPC217656
0.6048 Remote Similarity NPC89139
0.6048 Remote Similarity NPC107160
0.6041 Remote Similarity NPC103388
0.6038 Remote Similarity NPC160666
0.6037 Remote Similarity NPC296437
0.6 Remote Similarity NPC470266
0.6 Remote Similarity NPC313547
0.6 Remote Similarity NPC5707
0.5972 Remote Similarity NPC476561
0.5962 Remote Similarity NPC21461
0.5953 Remote Similarity NPC158055
0.5941 Remote Similarity NPC244700
0.5928 Remote Similarity NPC476528
0.5928 Remote Similarity NPC476433
0.5924 Remote Similarity NPC180493
0.5893 Remote Similarity NPC476013
0.5893 Remote Similarity NPC476522
0.5893 Remote Similarity NPC474986
0.5893 Remote Similarity NPC476520
0.5886 Remote Similarity NPC472833
0.5882 Remote Similarity NPC476408
0.5877 Remote Similarity NPC150447
0.5873 Remote Similarity NPC265111
0.5858 Remote Similarity NPC476521
0.585 Remote Similarity NPC119133
0.5829 Remote Similarity NPC473585
0.5787 Remote Similarity NPC472832
0.5787 Remote Similarity NPC18308
0.5782 Remote Similarity NPC476099
0.5689 Remote Similarity NPC324815
0.5676 Remote Similarity NPC476562
0.5621 Remote Similarity NPC256849
0.5621 Remote Similarity NPC41958
0.5619 Remote Similarity NPC315126
0.5619 Remote Similarity NPC314774
0.5616 Remote Similarity NPC293163
0.5608 Remote Similarity NPC59314
0.5608 Remote Similarity NPC10466

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC136349 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 NPD548 Clinical (unspecified phase)
0.9067 High Similarity NPD1776 Approved
0.9067 High Similarity NPD1777 Approved
0.9007 High Similarity NPD250 Approved
0.9007 High Similarity NPD249 Approved
0.8881 High Similarity NPD186 Discovery
0.8881 High Similarity NPD195 Approved
0.8865 High Similarity NPD185 Approved
0.8741 High Similarity NPD166 Approved
0.8723 High Similarity NPD193 Suspended
0.8649 High Similarity NPD3107 Discontinued
0.8639 High Similarity NPD283 Approved
0.8608 High Similarity NPD1412 Clinical (unspecified phase)
0.8523 High Similarity NPD1369 Phase 2
0.8523 High Similarity NPD338 Approved
0.8523 High Similarity NPD1750 Clinical (unspecified phase)
0.8523 High Similarity NPD242 Approved
0.8477 Intermediate Similarity NPD2646 Discontinued
0.8477 Intermediate Similarity NPD2624 Phase 2
0.8467 Intermediate Similarity NPD339 Approved
0.8411 Intermediate Similarity NPD169 Phase 2
0.8355 Intermediate Similarity NPD1732 Phase 3
0.8345 Intermediate Similarity NPD248 Discontinued
0.8158 Intermediate Similarity NPD213 Clinical (unspecified phase)
0.8158 Intermediate Similarity NPD214 Approved
0.8144 Intermediate Similarity NPD2632 Approved
0.8144 Intermediate Similarity NPD2630 Approved
0.8144 Intermediate Similarity NPD2631 Clinical (unspecified phase)
0.8133 Intermediate Similarity NPD6417 Clinical (unspecified phase)
0.8117 Intermediate Similarity NPD216 Approved
0.8117 Intermediate Similarity NPD220 Clinical (unspecified phase)
0.8117 Intermediate Similarity NPD218 Approved
0.8117 Intermediate Similarity NPD219 Phase 3
0.8117 Intermediate Similarity NPD217 Approved
0.7937 Intermediate Similarity NPD2647 Phase 3
0.7875 Intermediate Similarity NPD7988 Suspended
0.7817 Intermediate Similarity NPD870 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD5666 Phase 2
0.7771 Intermediate Similarity NPD546 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD247 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD4171 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD9633 Phase 3
0.7586 Intermediate Similarity NPD9632 Phase 3
0.7578 Intermediate Similarity NPD3083 Approved
0.7516 Intermediate Similarity NPD516 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD7158 Phase 1
0.7515 Intermediate Similarity NPD4716 Approved
0.7485 Intermediate Similarity NPD1692 Approved
0.7471 Intermediate Similarity NPD4744 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD252 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD9408 Phase 3
0.7399 Intermediate Similarity NPD5682 Phase 3
0.7399 Intermediate Similarity NPD5683 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD5684 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD194 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD549 Approved
0.7219 Intermediate Similarity NPD4495 Phase 1
0.717 Intermediate Similarity NPD3708 Phase 2
0.7081 Intermediate Similarity NPD231 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD536 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD582 Approved
0.7032 Intermediate Similarity NPD3696 Approved
0.7032 Intermediate Similarity NPD3695 Approved
0.7022 Intermediate Similarity NPD207 Discontinued
0.6966 Remote Similarity NPD7138 Phase 2
0.6944 Remote Similarity NPD9606 Approved
0.6897 Remote Similarity NPD9607 Approved
0.6863 Remote Similarity NPD209 Clinical (unspecified phase)
0.6852 Remote Similarity NPD3085 Phase 1
0.681 Remote Similarity NPD3086 Phase 3
0.6796 Remote Similarity NPD4054 Clinical (unspecified phase)
0.6779 Remote Similarity NPD9084 Phase 2
0.6772 Remote Similarity NPD2965 Clinical (unspecified phase)
0.6766 Remote Similarity NPD4074 Clinical (unspecified phase)
0.675 Remote Similarity NPD171 Discontinued
0.6737 Remote Similarity NPD2876 Phase 3
0.6737 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6736 Remote Similarity NPD9374 Approved
0.6713 Remote Similarity NPD9373 Approved
0.671 Remote Similarity NPD9484 Clinical (unspecified phase)
0.6708 Remote Similarity NPD1730 Discontinued
0.6687 Remote Similarity NPD4240 Approved
0.6667 Remote Similarity NPD2824 Phase 2
0.6667 Remote Similarity NPD307 Approved
0.6623 Remote Similarity NPD282 Approved
0.6573 Remote Similarity NPD1046 Clinical (unspecified phase)
0.6566 Remote Similarity NPD9605 Phase 3
0.6538 Remote Similarity NPD1058 Discontinued
0.6538 Remote Similarity NPD9083 Clinical (unspecified phase)
0.6497 Remote Similarity NPD1119 Phase 2
0.6463 Remote Similarity NPD7531 Clinical (unspecified phase)
0.646 Remote Similarity NPD1431 Approved
0.646 Remote Similarity NPD1430 Approved
0.6452 Remote Similarity NPD8829 Clinical (unspecified phase)
0.6447 Remote Similarity NPD2902 Phase 2
0.6447 Remote Similarity NPD2903 Clinical (unspecified phase)
0.6416 Remote Similarity NPD527 Clinical (unspecified phase)
0.6405 Remote Similarity NPD281 Approved
0.6395 Remote Similarity NPD9584 Phase 2
0.638 Remote Similarity NPD9704 Approved
0.6375 Remote Similarity NPD799 Phase 1
0.6369 Remote Similarity NPD545 Clinical (unspecified phase)
0.6369 Remote Similarity NPD547 Clinical (unspecified phase)
0.6359 Remote Similarity NPD1063 Phase 2
0.6354 Remote Similarity NPD4458 Phase 2
0.6354 Remote Similarity NPD4459 Clinical (unspecified phase)
0.6338 Remote Similarity NPD8836 Approved
0.6325 Remote Similarity NPD775 Approved
0.6323 Remote Similarity NPD1127 Approved
0.6323 Remote Similarity NPD1128 Approved
0.6258 Remote Similarity NPD2253 Discontinued
0.6213 Remote Similarity NPD353 Discontinued
0.6203 Remote Similarity NPD2152 Clinical (unspecified phase)
0.62 Remote Similarity NPD8833 Approved
0.62 Remote Similarity NPD8831 Approved
0.619 Remote Similarity NPD9375 Discontinued
0.6184 Remote Similarity NPD9409 Discontinued
0.6173 Remote Similarity NPD1808 Phase 1
0.6171 Remote Similarity NPD2593 Clinical (unspecified phase)
0.6169 Remote Similarity NPD798 Discontinued
0.6158 Remote Similarity NPD5080 Phase 2
0.6154 Remote Similarity NPD5486 Discontinued
0.6149 Remote Similarity NPD1121 Approved
0.6149 Remote Similarity NPD1120 Approved
0.6149 Remote Similarity NPD535 Approved
0.6138 Remote Similarity NPD1816 Clinical (unspecified phase)
0.6111 Remote Similarity NPD9626 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6112 Approved
0.6108 Remote Similarity NPD5079 Phase 2
0.6098 Remote Similarity NPD1118 Discontinued
0.6085 Remote Similarity NPD5627 Approved
0.6061 Remote Similarity NPD5458 Discontinued
0.6051 Remote Similarity NPD515 Phase 1
0.6 Remote Similarity NPD8830 Phase 3
0.5962 Remote Similarity NPD6381 Phase 2
0.596 Remote Similarity NPD757 Phase 3
0.5953 Remote Similarity NPD6840 Approved
0.5953 Remote Similarity NPD7502 Clinical (unspecified phase)
0.5948 Remote Similarity NPD9360 Approved
0.5946 Remote Similarity NPD5171 Clinical (unspecified phase)
0.5928 Remote Similarity NPD1117 Clinical (unspecified phase)
0.5924 Remote Similarity NPD9544 Approved
0.5924 Remote Similarity NPD78 Approved
0.5899 Remote Similarity NPD5768 Phase 2
0.5862 Remote Similarity NPD6023 Discontinued
0.585 Remote Similarity NPD9291 Approved
0.5849 Remote Similarity NPD9696 Approved
0.5849 Remote Similarity NPD1775 Approved
0.5849 Remote Similarity NPD1085 Approved
0.5844 Remote Similarity NPD237 Clinical (unspecified phase)
0.5838 Remote Similarity NPD7842 Phase 2
0.5833 Remote Similarity NPD2221 Clinical (unspecified phase)
0.5779 Remote Similarity NPD1368 Approved
0.5778 Remote Similarity NPD1122 Clinical (unspecified phase)
0.5742 Remote Similarity NPD578 Discontinued
0.5714 Remote Similarity NPD796 Phase 2
0.5706 Remote Similarity NPD1017 Clinical (unspecified phase)
0.5705 Remote Similarity NPD580 Discontinued
0.5689 Remote Similarity NPD8250 Phase 2
0.5677 Remote Similarity NPD3913 Clinical (unspecified phase)
0.5667 Remote Similarity NPD9417 Phase 3
0.5667 Remote Similarity NPD9416 Phase 3
0.5645 Remote Similarity NPD4089 Clinical (unspecified phase)
0.564 Remote Similarity NPD4555 Clinical (unspecified phase)
0.5625 Remote Similarity NPD579 Clinical (unspecified phase)
0.5621 Remote Similarity NPD9358 Approved
0.5621 Remote Similarity NPD9359 Approved
0.5617 Remote Similarity NPD1355 Clinical (unspecified phase)
0.5617 Remote Similarity NPD1354 Approved
0.5617 Remote Similarity NPD1356 Approved
0.5608 Remote Similarity NPD8837 Clinical (unspecified phase)
0.5608 Remote Similarity NPD341 Approved
0.5608 Remote Similarity NPD340 Approved
0.5604 Remote Similarity NPD4143 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   439176
ChEMBL   CHEMBL277041
ZINC  

Physicochemical Properties

Molecular Weight:  297.09
ALogP:  -1.1259
MLogP:  1.68
XLogP:  -0.493
# Rotatable Bonds:  7
Polar Surface Area:  144.61
# H-Bond Aceptor:  8
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  20

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Biological Activities  
Similar NPs/Drugs