Natural Product: NPC220408

Natural Product ID:  NPC220408
Common Name:   Coixol
IUPAC Name:   6-methoxy-3H-1,3-benzoxazol-2-one
Synonyms:   6-Methoxybenzoxazolinone; Coixol
Molecular Formula:   C8H7NO3
Standard InCHIKey:  MKMCJLMBVKHUMS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)
Canonical SMILES:  COc1ccc2c(c1)oc(n2)O
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
NPO33369.1 coix lachryma-jobi Under-species NA NA Roots PMID[2453615]
NPO12126 Coix lacryma-jobi Species Poaceae Eukaryota TCM_Taiwan*
NPO12126 Coix lacryma-jobi Species Poaceae Eukaryota HerDing*
NPO15289 Scoparia dulcis Species Plantaginaceae Eukaryota TCM_Taiwan*
NPO15289 Scoparia dulcis Species Plantaginaceae Eukaryota HerDing*
NPO15810 Zea mays Species Poaceae Eukaryota TCM_Taiwan*
NPO23628 Imperata cylindrica Species Poaceae Eukaryota TCM_Taiwan*
NPO23628.1 Imperata cylindrica var. major Varieties Poaceae Eukaryota HerDing*
NPO31185 Phragmites communis Species Poaceae Eukaryota TCM_Taiwan*
NPO31185 Phragmites communis Species Poaceae Eukaryota HerDing*
NPO375 Coicis semen NA NA NA TCMSP*
NPO29698 Imperatae rhizoma NA NA NA TCMSP*
NPO29637 Phragmitis rhizoma NA NA NA TCMSP*
NPO12126 Coix lacryma-jobi Species Poaceae Eukaryota TCMID*
NPO15289 Scoparia dulcis Species Plantaginaceae Eukaryota TCMID*
NPO23628.1 Imperata cylindrica var. major Varieties Poaceae Eukaryota TCMID*
NPO127 Phragmites australis Species Poaceae Eukaryota TCMID*
NPO12126.1 Coix lacryma- jobi var. ma - yuen Varieties Poaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1136 Cell Line mast cells Mus musculus Inhibition = 40 % 2453615
NPT1136 Cell Line mast cells Mus musculus Inhibition = 47.3 % 2453615
NPT1136 Cell Line mast cells Mus musculus ID50 = 1 10'-3M 2453615
NPT2 Others Unspecified Ratio = 1.5 19819150
NPT2 Others Unspecified Activity = 90 % 19819150
NPT5248 Organism Sitobion avenae Sitobion avenae Activity = 0 16478213
NPT5248 Organism Sitobion avenae Sitobion avenae Activity = 0.00048 16478213
NPT5248 Organism Sitobion avenae Sitobion avenae Activity = 0.00075 16478213
NPT5248 Organism Sitobion avenae Sitobion avenae Activity = 0.00139 16478213
NPT5248 Organism Sitobion avenae Sitobion avenae Activity = 0.00296 16478213
NPT5248 Organism Sitobion avenae Sitobion avenae Activity = 0.0015 16478213

  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 NPC220408 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
0.892 High Similarity NPC286195
0.8307 Intermediate Similarity NPC469961
0.7315 Intermediate Similarity NPC314633
0.7294 Intermediate Similarity NPC140296
0.7269 Intermediate Similarity NPC72715
0.7204 Intermediate Similarity NPC146418
0.7191 Intermediate Similarity NPC282346
0.7161 Intermediate Similarity NPC209981
0.7095 Intermediate Similarity NPC321428
0.7094 Intermediate Similarity NPC230403
0.7071 Intermediate Similarity NPC470042
0.7005 Intermediate Similarity NPC131885
0.696 Remote Similarity NPC477587
0.696 Remote Similarity NPC477589
0.6923 Remote Similarity NPC205372
0.6923 Remote Similarity NPC253810
0.691 Remote Similarity NPC173250
0.69 Remote Similarity NPC477590
0.69 Remote Similarity NPC477585
0.69 Remote Similarity NPC477588
0.69 Remote Similarity NPC477586
0.6878 Remote Similarity NPC120513
0.6875 Remote Similarity NPC230683
0.6866 Remote Similarity NPC16066
0.6864 Remote Similarity NPC54066
0.6837 Remote Similarity NPC269367
0.6818 Remote Similarity NPC298436
0.6816 Remote Similarity NPC97746
0.6809 Remote Similarity NPC203373
0.6776 Remote Similarity NPC193238
0.6762 Remote Similarity NPC280714
0.6738 Remote Similarity NPC208364
0.6725 Remote Similarity NPC34770
0.6723 Remote Similarity NPC161801
0.6723 Remote Similarity NPC1608
0.6697 Remote Similarity NPC474428
0.6697 Remote Similarity NPC184408
0.6667 Remote Similarity NPC196449
0.6667 Remote Similarity NPC39500
0.6667 Remote Similarity NPC314222
0.6667 Remote Similarity NPC160100
0.6667 Remote Similarity NPC288987
0.6622 Remote Similarity NPC309919
0.6622 Remote Similarity NPC174576
0.6618 Remote Similarity NPC144381
0.661 Remote Similarity NPC58209
0.6609 Remote Similarity NPC168922
0.6594 Remote Similarity NPC217176
0.6585 Remote Similarity NPC42591
0.6575 Remote Similarity NPC187501
0.6573 Remote Similarity NPC101312
0.6561 Remote Similarity NPC153452
0.6553 Remote Similarity NPC166712
0.6511 Remote Similarity NPC148889
0.6498 Remote Similarity NPC300156
0.6498 Remote Similarity NPC472287
0.6498 Remote Similarity NPC472286
0.6497 Remote Similarity NPC118511
0.6494 Remote Similarity NPC102593
0.6494 Remote Similarity NPC196718
0.6489 Remote Similarity NPC260601
0.6481 Remote Similarity NPC317572
0.6471 Remote Similarity NPC38237
0.6462 Remote Similarity NPC116573
0.6456 Remote Similarity NPC188400
0.6441 Remote Similarity NPC324361
0.644 Remote Similarity NPC257142
0.6438 Remote Similarity NPC182222
0.6435 Remote Similarity NPC274640
0.6432 Remote Similarity NPC144452
0.6432 Remote Similarity NPC216612
0.6425 Remote Similarity NPC241025
0.6425 Remote Similarity NPC284348
0.6417 Remote Similarity NPC85443
0.6416 Remote Similarity NPC174760
0.6414 Remote Similarity NPC124300
0.6413 Remote Similarity NPC116238
0.6413 Remote Similarity NPC118228
0.6404 Remote Similarity NPC94842
0.64 Remote Similarity NPC1527
0.6394 Remote Similarity NPC194040
0.6388 Remote Similarity NPC90019
0.6387 Remote Similarity NPC291609
0.6383 Remote Similarity NPC476462
0.6379 Remote Similarity NPC474688
0.6373 Remote Similarity NPC315631
0.6372 Remote Similarity NPC74360
0.6372 Remote Similarity NPC208084
0.6368 Remote Similarity NPC232225
0.6356 Remote Similarity NPC169402
0.6351 Remote Similarity NPC220337
0.6347 Remote Similarity NPC45190
0.6344 Remote Similarity NPC225279
0.6335 Remote Similarity NPC473769
0.6333 Remote Similarity NPC310618
0.6322 Remote Similarity NPC165964
0.6318 Remote Similarity NPC470894
0.6314 Remote Similarity NPC240384
0.6313 Remote Similarity NPC322644
0.6304 Remote Similarity NPC289423
0.6304 Remote Similarity NPC212766
0.6304 Remote Similarity NPC179287
0.6303 Remote Similarity NPC475844
0.6296 Remote Similarity NPC67401
0.6296 Remote Similarity NPC183537
0.6292 Remote Similarity NPC124313
0.6288 Remote Similarity NPC478141
0.6286 Remote Similarity NPC472435
0.6278 Remote Similarity NPC87413
0.6276 Remote Similarity NPC84164
0.6276 Remote Similarity NPC207283
0.6275 Remote Similarity NPC129897
0.6273 Remote Similarity NPC471736
0.6272 Remote Similarity NPC469439
0.626 Remote Similarity NPC318068
0.626 Remote Similarity NPC472589
0.6256 Remote Similarity NPC46561
0.625 Remote Similarity NPC472284
0.625 Remote Similarity NPC185197
0.625 Remote Similarity NPC316224
0.6244 Remote Similarity NPC4687
0.6239 Remote Similarity NPC3207
0.6234 Remote Similarity NPC119134
0.623 Remote Similarity NPC137353
0.623 Remote Similarity NPC473800
0.623 Remote Similarity NPC77878
0.6223 Remote Similarity NPC194740
0.622 Remote Similarity NPC320394
0.622 Remote Similarity NPC62069
0.6218 Remote Similarity NPC302159
0.6218 Remote Similarity NPC166722
0.6216 Remote Similarity NPC287208
0.6216 Remote Similarity NPC308392
0.621 Remote Similarity NPC472436
0.6205 Remote Similarity NPC294375
0.6202 Remote Similarity NPC118776
0.6201 Remote Similarity NPC323969
0.62 Remote Similarity NPC257763
0.6195 Remote Similarity NPC303225
0.6194 Remote Similarity NPC207620
0.619 Remote Similarity NPC51388
0.619 Remote Similarity NPC295158
0.6188 Remote Similarity NPC325297
0.6186 Remote Similarity NPC172222
0.6184 Remote Similarity NPC247803
0.6184 Remote Similarity NPC195120
0.6183 Remote Similarity NPC297584
0.618 Remote Similarity NPC257851
0.6179 Remote Similarity NPC242928
0.6179 Remote Similarity NPC110741
0.6179 Remote Similarity NPC472588
0.6178 Remote Similarity NPC310211
0.6178 Remote Similarity NPC308137
0.6175 Remote Similarity NPC127085
0.6171 Remote Similarity NPC169716
0.617 Remote Similarity NPC474701
0.6166 Remote Similarity NPC470395
0.6163 Remote Similarity NPC172355
0.616 Remote Similarity NPC215837
0.6157 Remote Similarity NPC148409
0.6154 Remote Similarity NPC13432
0.6154 Remote Similarity NPC210256
0.615 Remote Similarity NPC285635
0.6147 Remote Similarity NPC128823
0.6144 Remote Similarity NPC473186
0.6144 Remote Similarity NPC233334
0.6141 Remote Similarity NPC72905
0.614 Remote Similarity NPC79293
0.614 Remote Similarity NPC226202
0.614 Remote Similarity NPC279401
0.614 Remote Similarity NPC475190
0.6136 Remote Similarity NPC66815
0.6134 Remote Similarity NPC108342
0.6132 Remote Similarity NPC66083
0.613 Remote Similarity NPC150239
0.6124 Remote Similarity NPC474798
0.6122 Remote Similarity NPC134637
0.6118 Remote Similarity NPC329631
0.6116 Remote Similarity NPC15406
0.6116 Remote Similarity NPC142385
0.6114 Remote Similarity NPC87560
0.6111 Remote Similarity NPC478078
0.6111 Remote Similarity NPC298288
0.6109 Remote Similarity NPC189903
0.6109 Remote Similarity NPC182907
0.6108 Remote Similarity NPC314861
0.6104 Remote Similarity NPC280799
0.6102 Remote Similarity NPC260434
0.61 Remote Similarity NPC49672
0.61 Remote Similarity NPC210296
0.6099 Remote Similarity NPC283117
0.6099 Remote Similarity NPC249583
0.6092 Remote Similarity NPC39370
0.6092 Remote Similarity NPC90875
0.6089 Remote Similarity NPC219664
0.6087 Remote Similarity NPC290069
0.6081 Remote Similarity NPC132539
0.608 Remote Similarity NPC112766
0.608 Remote Similarity NPC142688
0.6079 Remote Similarity NPC236668

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC220408 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
0.8307 Intermediate Similarity NPD9243 Approved
0.8187 Intermediate Similarity NPD772 Phase 3
0.756 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD6974 Phase 3
0.7402 Intermediate Similarity NPD2779 Approved
0.7371 Intermediate Similarity NPD2785 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD2778 Approved
0.7336 Intermediate Similarity NPD5850 Phase 3
0.7156 Intermediate Similarity NPD1166 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD3945 Discontinued
0.7117 Intermediate Similarity NPD1505 Phase 2
0.7103 Intermediate Similarity NPD4667 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD4460 Clinical (unspecified phase)
0.6964 Remote Similarity NPD1867 Approved
0.696 Remote Similarity NPD4368 Phase 2
0.6916 Remote Similarity NPD3392 Approved
0.6892 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6889 Remote Similarity NPD1467 Approved
0.6889 Remote Similarity NPD1466 Phase 3
0.6866 Remote Similarity NPD1638 Discovery
0.6864 Remote Similarity NPD7180 Phase 3
0.6856 Remote Similarity NPD4394 Clinical (unspecified phase)
0.6847 Remote Similarity NPD7547 Clinical (unspecified phase)
0.6844 Remote Similarity NPD5924 Discontinued
0.684 Remote Similarity NPD7022 Phase 2
0.677 Remote Similarity NPD4898 Clinical (unspecified phase)
0.6727 Remote Similarity NPD5443 Clinical (unspecified phase)
0.6725 Remote Similarity NPD2951 Discontinued
0.6696 Remote Similarity NPD7853 Phase 2
0.6606 Remote Similarity NPD2081 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6393 Clinical (unspecified phase)
0.6583 Remote Similarity NPD5532 Phase 2
0.6583 Remote Similarity NPD6252 Clinical (unspecified phase)
0.658 Remote Similarity NPD3074 Discontinued
0.657 Remote Similarity NPD1898 Discontinued
0.6552 Remote Similarity NPD3250 Phase 1
0.6545 Remote Similarity NPD5866 Approved
0.6504 Remote Similarity NPD6209 Approved
0.65 Remote Similarity NPD5416 Discontinued
0.6494 Remote Similarity NPD7031 Phase 1
0.6491 Remote Similarity NPD3263 Phase 3
0.6458 Remote Similarity NPD6525 Clinical (unspecified phase)
0.645 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6444 Remote Similarity NPD3258 Approved
0.6425 Remote Similarity NPD7703 Clinical (unspecified phase)
0.6417 Remote Similarity NPD1936 Clinical (unspecified phase)
0.6413 Remote Similarity NPD3257 Approved
0.6413 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6385 Remote Similarity NPD5512 Phase 3
0.6371 Remote Similarity NPD7417 Discontinued
0.636 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6345 Remote Similarity NPD6716 Phase 1
0.6344 Remote Similarity NPD8479 Phase 2
0.634 Remote Similarity NPD3006 Discontinued
0.6318 Remote Similarity NPD6495 Clinical (unspecified phase)
0.6301 Remote Similarity NPD6138 Clinical (unspecified phase)
0.6288 Remote Similarity NPD2285 Clinical (unspecified phase)
0.6278 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6277 Remote Similarity NPD5640 Discontinued
0.6266 Remote Similarity NPD1659 Phase 1
0.6256 Remote Similarity NPD4429 Discontinued
0.6256 Remote Similarity NPD5632 Approved
0.625 Remote Similarity NPD3259 Approved
0.625 Remote Similarity NPD4328 Approved
0.6244 Remote Similarity NPD2366 Approved
0.6216 Remote Similarity NPD7467 Discontinued
0.6205 Remote Similarity NPD3779 Clinical (unspecified phase)
0.6202 Remote Similarity NPD6104 Discontinued
0.6195 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6192 Remote Similarity NPD7885 Phase 2
0.6192 Remote Similarity NPD7886 Phase 2
0.618 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6173 Remote Similarity NPD9596 Approved
0.6173 Remote Similarity NPD9595 Approved
0.6161 Remote Similarity NPD648 Clinical (unspecified phase)
0.6157 Remote Similarity NPD5922 Phase 3
0.6157 Remote Similarity NPD6550 Discontinued
0.6138 Remote Similarity NPD5857 Phase 3
0.6135 Remote Similarity NPD1212 Approved
0.6132 Remote Similarity NPD5817 Discontinued
0.6128 Remote Similarity NPD5479 Discontinued
0.6128 Remote Similarity NPD5022 Discontinued
0.6127 Remote Similarity NPD565 Phase 2
0.6126 Remote Similarity NPD3842 Clinical (unspecified phase)
0.6123 Remote Similarity NPD5293 Phase 2
0.6119 Remote Similarity NPD4496 Clinical (unspecified phase)
0.6118 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6118 Remote Similarity NPD4373 Phase 2
0.6114 Remote Similarity NPD7395 Discontinued
0.6111 Remote Similarity NPD7994 Phase 2
0.6109 Remote Similarity NPD5513 Phase 2
0.6109 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6099 Remote Similarity NPD5429 Discontinued
0.6091 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6087 Remote Similarity NPD3514 Clinical (unspecified phase)
0.6074 Remote Similarity NPD4322 Discontinued
0.6074 Remote Similarity NPD7690 Clinical (unspecified phase)
0.607 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6061 Remote Similarity NPD6242 Discontinued
0.6059 Remote Similarity NPD4952 Phase 3
0.6051 Remote Similarity NPD2114 Discontinued
0.6049 Remote Similarity NPD5319 Approved
0.6049 Remote Similarity NPD5320 Approved
0.6048 Remote Similarity NPD8463 Approved
0.6034 Remote Similarity NPD6962 Phase 2
0.6028 Remote Similarity NPD2792 Approved
0.6026 Remote Similarity NPD3925 Approved
0.6025 Remote Similarity NPD5483 Clinical (unspecified phase)
0.601 Remote Similarity NPD1631 Approved
0.6009 Remote Similarity NPD8356 Approved
0.6009 Remote Similarity NPD774 Phase 3
0.6008 Remote Similarity NPD1483 Discontinued
0.6008 Remote Similarity NPD8117 Approved
0.6008 Remote Similarity NPD8116 Phase 3
0.6 Remote Similarity NPD3853 Clinical (unspecified phase)
0.6 Remote Similarity NPD1955 Discontinued
0.6 Remote Similarity NPD4081 Clinical (unspecified phase)
0.5992 Remote Similarity NPD2921 Clinical (unspecified phase)
0.5992 Remote Similarity NPD5482 Discontinued
0.5992 Remote Similarity NPD7708 Approved
0.5992 Remote Similarity NPD7589 Clinical (unspecified phase)
0.5991 Remote Similarity NPD2540 Clinical (unspecified phase)
0.5991 Remote Similarity NPD5083 Clinical (unspecified phase)
0.5982 Remote Similarity NPD5003 Discontinued
0.5976 Remote Similarity NPD3328 Phase 2
0.5975 Remote Similarity NPD8430 Approved
0.5972 Remote Similarity NPD5871 Discontinued
0.5969 Remote Similarity NPD5788 Clinical (unspecified phase)
0.5963 Remote Similarity NPD4418 Discontinued
0.5951 Remote Similarity NPD4887 Discontinued
0.5948 Remote Similarity NPD2884 Phase 1
0.5947 Remote Similarity NPD5726 Clinical (unspecified phase)
0.5941 Remote Similarity NPD1630 Approved
0.5941 Remote Similarity NPD7796 Approved
0.5941 Remote Similarity NPD7797 Approved
0.594 Remote Similarity NPD6824 Clinical (unspecified phase)
0.5938 Remote Similarity NPD3946 Clinical (unspecified phase)
0.5935 Remote Similarity NPD9542 Approved
0.5933 Remote Similarity NPD5603 Clinical (unspecified phase)
0.5931 Remote Similarity NPD861 Approved
0.5931 Remote Similarity NPD862 Approved
0.5931 Remote Similarity NPD863 Approved
0.593 Remote Similarity NPD1678 Clinical (unspecified phase)
0.5926 Remote Similarity NPD2565 Phase 2
0.5926 Remote Similarity NPD1927 Discontinued
0.5926 Remote Similarity NPD2564 Approved
0.5926 Remote Similarity NPD1393 Approved
0.5919 Remote Similarity NPD1897 Discontinued
0.5917 Remote Similarity NPD1038 Approved
0.5917 Remote Similarity NPD6223 Clinical (unspecified phase)
0.5913 Remote Similarity NPD4897 Phase 2
0.5911 Remote Similarity NPD3507 Phase 2
0.5909 Remote Similarity NPD5805 Approved
0.5909 Remote Similarity NPD6988 Phase 1
0.5907 Remote Similarity NPD4086 Phase 1
0.5905 Remote Similarity NPD3354 Phase 2
0.5905 Remote Similarity NPD6198 Phase 1
0.5905 Remote Similarity NPD2011 Clinical (unspecified phase)
0.5902 Remote Similarity NPD6790 Phase 1
0.5902 Remote Similarity NPD1568 Clinical (unspecified phase)
0.59 Remote Similarity NPD180 Clinical (unspecified phase)
0.5898 Remote Similarity NPD7803 Approved
0.5896 Remote Similarity NPD3386 Phase 2
0.5894 Remote Similarity NPD1575 Approved
0.5894 Remote Similarity NPD1573 Approved
0.5887 Remote Similarity NPD8324 Phase 2
0.5885 Remote Similarity NPD822 Approved
0.5882 Remote Similarity NPD513 Approved
0.588 Remote Similarity NPD3875 Discontinued
0.5877 Remote Similarity NPD5420 Discontinued
0.587 Remote Similarity NPD5488 Discontinued
0.5862 Remote Similarity NPD4989 Phase 2
0.5861 Remote Similarity NPD4613 Phase 2
0.586 Remote Similarity NPD5256 Discontinued
0.5858 Remote Similarity NPD5801 Clinical (unspecified phase)
0.5856 Remote Similarity NPD6874 Approved
0.5852 Remote Similarity NPD4502 Phase 2
0.5852 Remote Similarity NPD7468 Clinical (unspecified phase)
0.5845 Remote Similarity NPD2249 Approved
0.5845 Remote Similarity NPD2247 Approved
0.5844 Remote Similarity NPD946 Discontinued
0.5841 Remote Similarity NPD1096 Discontinued
0.583 Remote Similarity NPD4923 Phase 1
0.583 Remote Similarity NPD7206 Clinical (unspecified phase)
0.5829 Remote Similarity NPD3965 Phase 1
0.5829 Remote Similarity NPD9509 Clinical (unspecified phase)
0.5824 Remote Similarity NPD5499 Approved
0.5823 Remote Similarity NPD8102 Discontinued
0.5822 Remote Similarity NPD7064 Clinical (unspecified phase)
0.5817 Remote Similarity NPD4724 Clinical (unspecified phase)
0.5815 Remote Similarity NPD7222 Phase 2
0.5815 Remote Similarity NPD7453 Approved
0.5815 Remote Similarity NPD7452 Approved
0.5812 Remote Similarity NPD7203 Clinical (unspecified phase)
0.5811 Remote Similarity NPD1788 Approved
0.5811 Remote Similarity NPD1789 Approved
0.5808 Remote Similarity NPD4900 Clinical (unspecified phase)
0.5805 Remote Similarity NPD6736 Discontinued
0.5801 Remote Similarity NPD7571 Clinical (unspecified phase)
0.5796 Remote Similarity NPD4122 Approved

Structure

External Identifiers

PubChem CID   10772
ChEMBL   CHEMBL454809
ZINC  

Physicochemical Properties

Molecular Weight:  165.04
ALogP:  -0.6662
MLogP:  1.9
XLogP:  0.977
# Rotatable Bonds:  3
Polar Surface Area:  55.49
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  12

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs