Natural Product: NPC221873

Natural Product ID:  NPC221873
Common Name:   9H-Pyrido[3,4-B]Indole-1,3,4-Trione
IUPAC Name:   9H-pyrido[3,4-b]indole-1,3,4-trione
Synonyms:  
Molecular Formula:   C11H6N2O3
Standard InCHIKey:  VRGUANBRNRLJRB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H6N2O3/c14-9-7-5-3-1-2-4-6(5)12-8(7)10(15)13-11(9)16/h1-4,12H,(H,13,15,16)
Canonical SMILES:  O=C1N=C(O)c2c(C1=O)c1ccccc1[nH]2
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
NPO8372 Picrasma quassioides Species Simaroubaceae Eukaryota PMID[19586051]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 35.8 % 23398362
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 33.3 % 27172398
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 52.1 % 19015349
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 29.5 % 18625771
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = 80.7 % 1624942
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 29.4 % 8064296
NPT786 Organism Tobacco mosaic virus Tobacco mosaic virus Inhibition = 44.4 % PubChem BioAssay data set

  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 NPC221873 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
0.8351 Intermediate Similarity NPC471944
0.8333 Intermediate Similarity NPC141454
0.8294 Intermediate Similarity NPC141353
0.8168 Intermediate Similarity NPC165599
0.8125 Intermediate Similarity NPC132539
0.8098 Intermediate Similarity NPC278434
0.8073 Intermediate Similarity NPC134848
0.8041 Intermediate Similarity NPC244741
0.8011 Intermediate Similarity NPC115232
0.7949 Intermediate Similarity NPC270918
0.7949 Intermediate Similarity NPC283117
0.7937 Intermediate Similarity NPC202812
0.7937 Intermediate Similarity NPC276517
0.7926 Intermediate Similarity NPC67551
0.7914 Intermediate Similarity NPC154339
0.7914 Intermediate Similarity NPC83111
0.7906 Intermediate Similarity NPC306376
0.7901 Intermediate Similarity NPC151635
0.7898 Intermediate Similarity NPC214106
0.7892 Intermediate Similarity NPC229893
0.7877 Intermediate Similarity NPC471943
0.7849 Intermediate Similarity NPC160381
0.7841 Intermediate Similarity NPC322644
0.7812 Intermediate Similarity NPC131887
0.78 Intermediate Similarity NPC89508
0.7789 Intermediate Similarity NPC267343
0.7789 Intermediate Similarity NPC294375
0.7789 Intermediate Similarity NPC82370
0.7772 Intermediate Similarity NPC91179
0.776 Intermediate Similarity NPC217372
0.776 Intermediate Similarity NPC183662
0.776 Intermediate Similarity NPC15573
0.7735 Intermediate Similarity NPC6982
0.7723 Intermediate Similarity NPC322064
0.7717 Intermediate Similarity NPC219336
0.7711 Intermediate Similarity NPC31700
0.7685 Intermediate Similarity NPC312645
0.7677 Intermediate Similarity NPC321428
0.7673 Intermediate Similarity NPC118228
0.7663 Intermediate Similarity NPC111275
0.7662 Intermediate Similarity NPC219087
0.7662 Intermediate Similarity NPC12344
0.7659 Intermediate Similarity NPC276657
0.765 Intermediate Similarity NPC303225
0.7647 Intermediate Similarity NPC477003
0.7644 Intermediate Similarity NPC472292
0.7638 Intermediate Similarity NPC171787
0.7627 Intermediate Similarity NPC299594
0.7626 Intermediate Similarity NPC471191
0.7617 Intermediate Similarity NPC472293
0.7614 Intermediate Similarity NPC476098
0.761 Intermediate Similarity NPC288987
0.7598 Intermediate Similarity NPC472285
0.7598 Intermediate Similarity NPC293151
0.7596 Intermediate Similarity NPC252572
0.7592 Intermediate Similarity NPC138370
0.7588 Intermediate Similarity NPC183777
0.7585 Intermediate Similarity NPC220851
0.7581 Intermediate Similarity NPC88110
0.7571 Intermediate Similarity NPC194740
0.7561 Intermediate Similarity NPC184408
0.755 Intermediate Similarity NPC86834
0.755 Intermediate Similarity NPC39679
0.755 Intermediate Similarity NPC210828
0.754 Intermediate Similarity NPC314394
0.7527 Intermediate Similarity NPC55772
0.7513 Intermediate Similarity NPC247735
0.7513 Intermediate Similarity NPC472210
0.7513 Intermediate Similarity NPC269886
0.7513 Intermediate Similarity NPC472295
0.7513 Intermediate Similarity NPC81802
0.7512 Intermediate Similarity NPC27041
0.7512 Intermediate Similarity NPC325297
0.75 Intermediate Similarity NPC477979
0.75 Intermediate Similarity NPC472297
0.75 Intermediate Similarity NPC472296
0.75 Intermediate Similarity NPC476460
0.7486 Intermediate Similarity NPC13432
0.7475 Intermediate Similarity NPC57398
0.7475 Intermediate Similarity NPC303951
0.7472 Intermediate Similarity NPC285469
0.7463 Intermediate Similarity NPC266249
0.7462 Intermediate Similarity NPC213308
0.746 Intermediate Similarity NPC228835
0.7459 Intermediate Similarity NPC203468
0.7459 Intermediate Similarity NPC271734
0.7459 Intermediate Similarity NPC149155
0.7459 Intermediate Similarity NPC110500
0.7457 Intermediate Similarity NPC242556
0.7448 Intermediate Similarity NPC324091
0.7438 Intermediate Similarity NPC9894
0.7438 Intermediate Similarity NPC87413
0.7438 Intermediate Similarity NPC187501
0.7438 Intermediate Similarity NPC23294
0.7435 Intermediate Similarity NPC206186
0.7435 Intermediate Similarity NPC17059
0.7433 Intermediate Similarity NPC126709
0.7433 Intermediate Similarity NPC283219
0.7433 Intermediate Similarity NPC11126
0.7433 Intermediate Similarity NPC72980
0.7433 Intermediate Similarity NPC248041
0.743 Intermediate Similarity NPC76982
0.7421 Intermediate Similarity NPC133003
0.7419 Intermediate Similarity NPC267885
0.7416 Intermediate Similarity NPC471458
0.7405 Intermediate Similarity NPC34508
0.7402 Intermediate Similarity NPC118940
0.7402 Intermediate Similarity NPC471193
0.7402 Intermediate Similarity NPC471194
0.7398 Intermediate Similarity NPC227582
0.7394 Intermediate Similarity NPC469896
0.7391 Intermediate Similarity NPC303658
0.7391 Intermediate Similarity NPC264285
0.7389 Intermediate Similarity NPC123839
0.7386 Intermediate Similarity NPC37548
0.7381 Intermediate Similarity NPC51388
0.738 Intermediate Similarity NPC284775
0.7374 Intermediate Similarity NPC315491
0.7374 Intermediate Similarity NPC45459
0.7366 Intermediate Similarity NPC39500
0.7366 Intermediate Similarity NPC475594
0.7353 Intermediate Similarity NPC72956
0.7348 Intermediate Similarity NPC131718
0.7347 Intermediate Similarity NPC79356
0.7347 Intermediate Similarity NPC102592
0.7346 Intermediate Similarity NPC179287
0.7337 Intermediate Similarity NPC78020
0.733 Intermediate Similarity NPC300596
0.733 Intermediate Similarity NPC237649
0.7326 Intermediate Similarity NPC475607
0.7322 Intermediate Similarity NPC42372
0.7317 Intermediate Similarity NPC6865
0.7317 Intermediate Similarity NPC153980
0.7316 Intermediate Similarity NPC117027
0.7312 Intermediate Similarity NPC474409
0.7308 Intermediate Similarity NPC16667
0.7306 Intermediate Similarity NPC473666
0.7302 Intermediate Similarity NPC207686
0.73 Intermediate Similarity NPC476073
0.7296 Intermediate Similarity NPC220151
0.7296 Intermediate Similarity NPC19692
0.7295 Intermediate Similarity NPC471192
0.7295 Intermediate Similarity NPC36405
0.7295 Intermediate Similarity NPC3207
0.7292 Intermediate Similarity NPC194040
0.7292 Intermediate Similarity NPC62749
0.7288 Intermediate Similarity NPC124005
0.7287 Intermediate Similarity NPC474081
0.7287 Intermediate Similarity NPC219848
0.7286 Intermediate Similarity NPC252338
0.7281 Intermediate Similarity NPC477549
0.7281 Intermediate Similarity NPC57453
0.7277 Intermediate Similarity NPC300156
0.7277 Intermediate Similarity NPC478078
0.7277 Intermediate Similarity NPC21429
0.7277 Intermediate Similarity NPC45190
0.7273 Intermediate Similarity NPC470499
0.7273 Intermediate Similarity NPC67288
0.7273 Intermediate Similarity NPC74360
0.7268 Intermediate Similarity NPC472112
0.7263 Intermediate Similarity NPC191415
0.7259 Intermediate Similarity NPC472116
0.7256 Intermediate Similarity NPC474701
0.7253 Intermediate Similarity NPC473320
0.7253 Intermediate Similarity NPC279918
0.7251 Intermediate Similarity NPC16352
0.7249 Intermediate Similarity NPC472443
0.7249 Intermediate Similarity NPC474041
0.7249 Intermediate Similarity NPC270009
0.7249 Intermediate Similarity NPC475761
0.7249 Intermediate Similarity NPC256268
0.7241 Intermediate Similarity NPC4687
0.7241 Intermediate Similarity NPC249583
0.7238 Intermediate Similarity NPC323969
0.7238 Intermediate Similarity NPC272174
0.7234 Intermediate Similarity NPC84347
0.7233 Intermediate Similarity NPC110182
0.7225 Intermediate Similarity NPC247803
0.7225 Intermediate Similarity NPC243058
0.7222 Intermediate Similarity NPC470507
0.7222 Intermediate Similarity NPC132329
0.7222 Intermediate Similarity NPC207726
0.7222 Intermediate Similarity NPC38736
0.7222 Intermediate Similarity NPC74153
0.722 Intermediate Similarity NPC309845
0.7213 Intermediate Similarity NPC282231
0.7212 Intermediate Similarity NPC85702
0.7209 Intermediate Similarity NPC472844
0.7204 Intermediate Similarity NPC474896
0.7202 Intermediate Similarity NPC478077
0.7202 Intermediate Similarity NPC235684
0.7202 Intermediate Similarity NPC315555
0.72 Intermediate Similarity NPC470497
0.7198 Intermediate Similarity NPC472291
0.7196 Intermediate Similarity NPC145885
0.7196 Intermediate Similarity NPC14113
0.7196 Intermediate Similarity NPC84827
0.7194 Intermediate Similarity NPC472113
0.7191 Intermediate Similarity NPC187951
0.719 Intermediate Similarity NPC208084

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC221873 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
0.7938 Intermediate Similarity NPD2721 Clinical (unspecified phase)
0.7846 Intermediate Similarity NPD5901 Discontinued
0.7806 Intermediate Similarity NPD2715 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD2844 Phase 3
0.7684 Intermediate Similarity NPD5592 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD4948 Discontinued
0.7619 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7577 Intermediate Similarity NPD5003 Discontinued
0.7525 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD4845 Discontinued
0.75 Intermediate Similarity NPD3757 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD482 Approved
0.7448 Intermediate Similarity NPD2565 Phase 2
0.7448 Intermediate Similarity NPD2564 Approved
0.7447 Intermediate Similarity NPD3178 Discontinued
0.7426 Intermediate Similarity NPD4506 Discontinued
0.7419 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7402 Intermediate Similarity NPD8097 Phase 3
0.7402 Intermediate Similarity NPD8096 Phase 3
0.7402 Intermediate Similarity NPD6657 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD1326 Approved
0.7391 Intermediate Similarity NPD1325 Approved
0.7374 Intermediate Similarity NPD484 Approved
0.7368 Intermediate Similarity NPD2096 Phase 2
0.7368 Intermediate Similarity NPD2091 Phase 2
0.7366 Intermediate Similarity NPD4736 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD1592 Phase 3
0.7316 Intermediate Similarity NPD2092 Phase 2
0.7316 Intermediate Similarity NPD2094 Phase 2
0.7316 Intermediate Similarity NPD2095 Phase 2
0.7313 Intermediate Similarity NPD3947 Discontinued
0.7308 Intermediate Similarity NPD7878 Phase 2
0.7306 Intermediate Similarity NPD1534 Approved
0.7291 Intermediate Similarity NPD2509 Approved
0.7291 Intermediate Similarity NPD2510 Approved
0.7268 Intermediate Similarity NPD1631 Approved
0.7249 Intermediate Similarity NPD5398 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD5426 Phase 3
0.7212 Intermediate Similarity NPD3394 Approved
0.7212 Intermediate Similarity NPD3389 Approved
0.7212 Intermediate Similarity NPD3393 Approved
0.7204 Intermediate Similarity NPD1573 Approved
0.7204 Intermediate Similarity NPD1575 Approved
0.7192 Intermediate Similarity NPD7001 Phase 3
0.719 Intermediate Similarity NPD6770 Approved
0.7179 Intermediate Similarity NPD4499 Approved
0.7178 Intermediate Similarity NPD6176 Phase 1
0.7172 Intermediate Similarity NPD4848 Phase 1
0.715 Intermediate Similarity NPD6999 Discontinued
0.715 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2336 Approved
0.7143 Intermediate Similarity NPD3746 Discontinued
0.7136 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD3318 Approved
0.7135 Intermediate Similarity NPD3319 Phase 1
0.7135 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD3320 Approved
0.7128 Intermediate Similarity NPD750 Phase 2
0.7122 Intermediate Similarity NPD6376 Discontinued
0.7115 Intermediate Similarity NPD3243 Approved
0.711 Intermediate Similarity NPD4373 Phase 2
0.7104 Intermediate Similarity NPD1630 Approved
0.7101 Intermediate Similarity NPD7470 Discontinued
0.71 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD2920 Discontinued
0.709 Intermediate Similarity NPD5065 Approved
0.7089 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD8093 Discontinued
0.7062 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6987 Phase 1
0.7059 Intermediate Similarity NPD8098 Approved
0.7051 Intermediate Similarity NPD4952 Phase 3
0.7048 Intermediate Similarity NPD8160 Phase 2
0.7048 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD2916 Discontinued
0.7037 Intermediate Similarity NPD6292 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD6452 Discontinued
0.7031 Intermediate Similarity NPD5473 Discontinued
0.7031 Intermediate Similarity NPD1643 Phase 3
0.7024 Intermediate Similarity NPD6732 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD6665 Discontinued
0.7019 Intermediate Similarity NPD5416 Discontinued
0.701 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6995 Phase 1
0.7005 Intermediate Similarity NPD4554 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2307 Discontinued
0.6995 Remote Similarity NPD6242 Discontinued
0.6989 Remote Similarity NPD5138 Approved
0.6989 Remote Similarity NPD5140 Approved
0.6984 Remote Similarity NPD3776 Discontinued
0.697 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6961 Remote Similarity NPD4462 Approved
0.6961 Remote Similarity NPD2779 Approved
0.6961 Remote Similarity NPD4463 Approved
0.6954 Remote Similarity NPD6965 Clinical (unspecified phase)
0.695 Remote Similarity NPD3791 Clinical (unspecified phase)
0.6946 Remote Similarity NPD4500 Approved
0.6946 Remote Similarity NPD4501 Approved
0.6935 Remote Similarity NPD972 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7941 Phase 3
0.6919 Remote Similarity NPD5293 Phase 2
0.6919 Remote Similarity NPD2214 Approved
0.6919 Remote Similarity NPD2213 Approved
0.6912 Remote Similarity NPD7603 Discontinued
0.69 Remote Similarity NPD5575 Clinical (unspecified phase)
0.6897 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6892 Remote Similarity NPD7853 Phase 2
0.6891 Remote Similarity NPD1587 Approved
0.6881 Remote Similarity NPD6165 Phase 2
0.6881 Remote Similarity NPD6164 Phase 2
0.6875 Remote Similarity NPD7666 Phase 3
0.6875 Remote Similarity NPD7665 Phase 2
0.6872 Remote Similarity NPD8094 Discontinued
0.6872 Remote Similarity NPD5596 Phase 2
0.6866 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6863 Remote Similarity NPD4601 Approved
0.6863 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6863 Remote Similarity NPD4600 Approved
0.6857 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6857 Remote Similarity NPD5475 Discontinued
0.6839 Remote Similarity NPD3755 Clinical (unspecified phase)
0.6833 Remote Similarity NPD6263 Clinical (unspecified phase)
0.6828 Remote Similarity NPD1554 Clinical (unspecified phase)
0.6825 Remote Similarity NPD3916 Clinical (unspecified phase)
0.6825 Remote Similarity NPD3918 Approved
0.6825 Remote Similarity NPD3917 Approved
0.6822 Remote Similarity NPD5632 Approved
0.6814 Remote Similarity NPD2778 Approved
0.6812 Remote Similarity NPD6323 Clinical (unspecified phase)
0.681 Remote Similarity NPD648 Clinical (unspecified phase)
0.681 Remote Similarity NPD7809 Clinical (unspecified phase)
0.681 Remote Similarity NPD1166 Clinical (unspecified phase)
0.6808 Remote Similarity NPD6733 Discontinued
0.68 Remote Similarity NPD5912 Clinical (unspecified phase)
0.68 Remote Similarity NPD5913 Phase 3
0.68 Remote Similarity NPD6630 Clinical (unspecified phase)
0.6798 Remote Similarity NPD7948 Phase 1
0.6791 Remote Similarity NPD3258 Approved
0.6789 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6788 Remote Similarity NPD2382 Approved
0.6788 Remote Similarity NPD2381 Approved
0.6788 Remote Similarity NPD2380 Approved
0.6787 Remote Similarity NPD7688 Phase 1
0.6782 Remote Similarity NPD7619 Phase 3
0.6782 Remote Similarity NPD7618 Phase 3
0.6779 Remote Similarity NPD3507 Phase 2
0.6777 Remote Similarity NPD3915 Approved
0.6774 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6774 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6774 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6769 Remote Similarity NPD1291 Clinical (unspecified phase)
0.6768 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6768 Remote Similarity NPD3315 Phase 3
0.6765 Remote Similarity NPD7946 Pre-registration
0.676 Remote Similarity NPD1625 Approved
0.6754 Remote Similarity NPD4184 Clinical (unspecified phase)
0.6753 Remote Similarity NPD7865 Approved
0.6751 Remote Similarity NPD1096 Discontinued
0.6751 Remote Similarity NPD721 Approved
0.6745 Remote Similarity NPD7455 Approved
0.6745 Remote Similarity NPD7454 Approved
0.6745 Remote Similarity NPD4852 Phase 2
0.6744 Remote Similarity NPD4429 Discontinued
0.6743 Remote Similarity NPD6173 Approved
0.6739 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6158 Phase 2
0.6736 Remote Similarity NPD1586 Approved
0.6731 Remote Similarity NPD6138 Clinical (unspecified phase)
0.6731 Remote Similarity NPD56 Approved
0.6731 Remote Similarity NPD8283 Approved
0.6731 Remote Similarity NPD8282 Approved
0.673 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6727 Remote Similarity NPD3259 Approved
0.6727 Remote Similarity NPD7994 Phase 2
0.6726 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6726 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6714 Remote Similarity NPD3795 Approved
0.6714 Remote Similarity NPD3794 Approved
0.671 Remote Similarity NPD3986 Discontinued
0.6702 Remote Similarity NPD5069 Clinical (unspecified phase)
0.67 Remote Similarity NPD4334 Discontinued
0.67 Remote Similarity NPD4602 Approved
0.6699 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6696 Remote Similarity NPD2951 Discontinued
0.6684 Remote Similarity NPD8464 Clinical (unspecified phase)
0.6683 Remote Similarity NPD5809 Phase 3
0.6683 Remote Similarity NPD706 Phase 1
0.6682 Remote Similarity NPD3257 Approved
0.6682 Remote Similarity NPD5151 Clinical (unspecified phase)
0.6681 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6752 Phase 1
0.6667 Remote Similarity NPD7594 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6753 Phase 1
0.6667 Remote Similarity NPD7727 Phase 2
0.6667 Remote Similarity NPD5801 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10856837
ChEMBL   CHEMBL2229717
ZINC  

Physicochemical Properties

Molecular Weight:  214.04
ALogP:  -1.5355
MLogP:  2.12
XLogP:  1.79
# Rotatable Bonds:  1
Polar Surface Area:  82.52
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  16

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs