Natural Product: NPC475859

Natural Product ID:  NPC475859
Common Name:   Bionectin B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H22N4O4S2
Standard InCHIKey:  RXMWCUHVQJFPOO-SOUSOVJZSA-N
Standard InCHI:  InChI=1S/C24H22N4O4S2/c1-12(29)23-21(32)28-19-22(14-8-4-6-10-17(14)26-19,15-11-25-16-9-5-3-7-13(15)16)18(30)24(28,34-33-23)20(31)27(23)2/h3-12,18-19,25-26,29-30H,1-2H3/t12?,18-,19+,22+,23-,24-/m0/s1
Canonical SMILES:  O=C1N(C)[C@]2(SS[C@@]31N(C2=O)[C@@H]1[C@]([C@@H]3O)(c2c(N1)cccc2)c1c[nH]c2c1cccc2)C(O)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
NPO32932 bionectra byssicola f120 Species NA NA PMID[17190469]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 30 ug/ml PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 30 ug/ml 8784452
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 30 ug/ml 23151320
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 10 ug/ml 22738271
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 30 ug/ml 17432904

  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 NPC475859 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 NPC475969
0.9951 High Similarity NPC470730
0.9951 High Similarity NPC477175
0.9854 High Similarity NPC165743
0.971 High Similarity NPC474877
0.9662 High Similarity NPC470729
0.9662 High Similarity NPC477176
0.9617 High Similarity NPC63279
0.9615 High Similarity NPC477177
0.9571 High Similarity NPC297642
0.9363 High Similarity NPC470731
0.9082 High Similarity NPC470732
0.8738 High Similarity NPC327095
0.8738 High Similarity NPC312942
0.8698 High Similarity NPC40455
0.8657 High Similarity NPC19170
0.8539 High Similarity NPC297862
0.8525 High Similarity NPC476817
0.8436 Intermediate Similarity NPC162860
0.8341 Intermediate Similarity NPC54420
0.8311 Intermediate Similarity NPC253987
0.8303 Intermediate Similarity NPC272174
0.8182 Intermediate Similarity NPC474896
0.8178 Intermediate Similarity NPC107077
0.8178 Intermediate Similarity NPC223791
0.8157 Intermediate Similarity NPC478157
0.8145 Intermediate Similarity NPC31097
0.8128 Intermediate Similarity NPC477714
0.8104 Intermediate Similarity NPC475506
0.8093 Intermediate Similarity NPC478158
0.8082 Intermediate Similarity NPC477715
0.8066 Intermediate Similarity NPC155143
0.8048 Intermediate Similarity NPC171317
0.8045 Intermediate Similarity NPC281049
0.8043 Intermediate Similarity NPC14812
0.8028 Intermediate Similarity NPC477179
0.7991 Intermediate Similarity NPC477178
0.7991 Intermediate Similarity NPC477180
0.7991 Intermediate Similarity NPC478028
0.7991 Intermediate Similarity NPC477181
0.7991 Intermediate Similarity NPC254850
0.7962 Intermediate Similarity NPC473640
0.7953 Intermediate Similarity NPC477173
0.7953 Intermediate Similarity NPC477174
0.7953 Intermediate Similarity NPC470490
0.7945 Intermediate Similarity NPC54744
0.7936 Intermediate Similarity NPC320968
0.7922 Intermediate Similarity NPC478029
0.7917 Intermediate Similarity NPC470488
0.7907 Intermediate Similarity NPC473376
0.79 Intermediate Similarity NPC75634
0.788 Intermediate Similarity NPC471945
0.788 Intermediate Similarity NPC475259
0.788 Intermediate Similarity NPC471950
0.788 Intermediate Similarity NPC470491
0.7874 Intermediate Similarity NPC17059
0.7844 Intermediate Similarity NPC471946
0.7844 Intermediate Similarity NPC471951
0.7837 Intermediate Similarity NPC213629
0.7826 Intermediate Similarity NPC94752
0.7808 Intermediate Similarity NPC475359
0.7808 Intermediate Similarity NPC191817
0.7807 Intermediate Similarity NPC56109
0.7807 Intermediate Similarity NPC191382
0.7804 Intermediate Similarity NPC470497
0.7803 Intermediate Similarity NPC475736
0.7788 Intermediate Similarity NPC64216
0.7783 Intermediate Similarity NPC89987
0.7757 Intermediate Similarity NPC100321
0.7743 Intermediate Similarity NPC155444
0.7738 Intermediate Similarity NPC31385
0.7738 Intermediate Similarity NPC75726
0.7738 Intermediate Similarity NPC110602
0.7736 Intermediate Similarity NPC294693
0.7716 Intermediate Similarity NPC325976
0.7696 Intermediate Similarity NPC69843
0.7683 Intermediate Similarity NPC125181
0.7683 Intermediate Similarity NPC242872
0.7683 Intermediate Similarity NPC263117
0.7675 Intermediate Similarity NPC474196
0.7674 Intermediate Similarity NPC293917
0.7661 Intermediate Similarity NPC470489
0.7655 Intermediate Similarity NPC474195
0.7644 Intermediate Similarity NPC228835
0.7619 Intermediate Similarity NPC326363
0.761 Intermediate Similarity NPC321939
0.7609 Intermediate Similarity NPC476491
0.76 Intermediate Similarity NPC472285
0.7583 Intermediate Similarity NPC321708
0.7569 Intermediate Similarity NPC476874
0.7566 Intermediate Similarity NPC473310
0.7565 Intermediate Similarity NPC24370
0.7565 Intermediate Similarity NPC319232
0.7551 Intermediate Similarity NPC478006
0.7546 Intermediate Similarity NPC131887
0.7546 Intermediate Similarity NPC52557
0.754 Intermediate Similarity NPC478011
0.754 Intermediate Similarity NPC314056
0.754 Intermediate Similarity NPC478012
0.7536 Intermediate Similarity NPC11126
0.7531 Intermediate Similarity NPC314882
0.7524 Intermediate Similarity NPC15102
0.7523 Intermediate Similarity NPC300183
0.7522 Intermediate Similarity NPC238945
0.7512 Intermediate Similarity NPC473763
0.7512 Intermediate Similarity NPC117244
0.7511 Intermediate Similarity NPC323927
0.751 Intermediate Similarity NPC314176
0.751 Intermediate Similarity NPC315467
0.75 Intermediate Similarity NPC28945
0.75 Intermediate Similarity NPC175474
0.75 Intermediate Similarity NPC91179
0.7489 Intermediate Similarity NPC193761
0.748 Intermediate Similarity NPC478009
0.748 Intermediate Similarity NPC478010
0.7479 Intermediate Similarity NPC63031
0.7478 Intermediate Similarity NPC471192
0.7477 Intermediate Similarity NPC195461
0.7477 Intermediate Similarity NPC79129
0.7477 Intermediate Similarity NPC81654
0.7477 Intermediate Similarity NPC249150
0.7477 Intermediate Similarity NPC313985
0.7477 Intermediate Similarity NPC49196
0.7477 Intermediate Similarity NPC252338
0.7476 Intermediate Similarity NPC472294
0.7468 Intermediate Similarity NPC470784
0.7465 Intermediate Similarity NPC470499
0.7465 Intermediate Similarity NPC50503
0.7465 Intermediate Similarity NPC128582
0.7457 Intermediate Similarity NPC475258
0.7455 Intermediate Similarity NPC54981
0.7455 Intermediate Similarity NPC82370
0.745 Intermediate Similarity NPC478013
0.7448 Intermediate Similarity NPC17487
0.7448 Intermediate Similarity NPC201831
0.7427 Intermediate Similarity NPC161861
0.7426 Intermediate Similarity NPC184680
0.7425 Intermediate Similarity NPC33949
0.7422 Intermediate Similarity NPC471193
0.7422 Intermediate Similarity NPC6865
0.7422 Intermediate Similarity NPC153980
0.7422 Intermediate Similarity NPC471194
0.7419 Intermediate Similarity NPC227582
0.7417 Intermediate Similarity NPC477108
0.7417 Intermediate Similarity NPC477109
0.7417 Intermediate Similarity NPC477107
0.7411 Intermediate Similarity NPC234999
0.7409 Intermediate Similarity NPC260900
0.7409 Intermediate Similarity NPC476073
0.7406 Intermediate Similarity NPC315555
0.7395 Intermediate Similarity NPC470785
0.7389 Intermediate Similarity NPC229348
0.7389 Intermediate Similarity NPC475602
0.7387 Intermediate Similarity NPC277350
0.7384 Intermediate Similarity NPC477549
0.7383 Intermediate Similarity NPC95783
0.7378 Intermediate Similarity NPC72956
0.7373 Intermediate Similarity NPC323752
0.7373 Intermediate Similarity NPC220852
0.7368 Intermediate Similarity NPC126709
0.7368 Intermediate Similarity NPC248041
0.7368 Intermediate Similarity NPC248462
0.7368 Intermediate Similarity NPC283219
0.7357 Intermediate Similarity NPC474412
0.7353 Intermediate Similarity NPC285343
0.7353 Intermediate Similarity NPC184225
0.7347 Intermediate Similarity NPC153400
0.7339 Intermediate Similarity NPC475338
0.7339 Intermediate Similarity NPC909
0.7333 Intermediate Similarity NPC475422
0.7325 Intermediate Similarity NPC36405
0.7324 Intermediate Similarity NPC235684
0.7324 Intermediate Similarity NPC62749
0.7321 Intermediate Similarity NPC314957
0.7321 Intermediate Similarity NPC64436
0.7321 Intermediate Similarity NPC145885
0.7321 Intermediate Similarity NPC71238
0.7321 Intermediate Similarity NPC84827
0.7321 Intermediate Similarity NPC87755
0.7321 Intermediate Similarity NPC14113
0.7316 Intermediate Similarity NPC471506
0.73 Intermediate Similarity NPC70155
0.7297 Intermediate Similarity NPC98715
0.7297 Intermediate Similarity NPC317701
0.7293 Intermediate Similarity NPC79386
0.7286 Intermediate Similarity NPC219336
0.7282 Intermediate Similarity NPC317430
0.728 Intermediate Similarity NPC477633
0.7277 Intermediate Similarity NPC99939
0.7277 Intermediate Similarity NPC225821
0.7277 Intermediate Similarity NPC473362
0.7277 Intermediate Similarity NPC308931
0.7277 Intermediate Similarity NPC46225
0.7277 Intermediate Similarity NPC166492
0.7273 Intermediate Similarity NPC267885
0.7273 Intermediate Similarity NPC74413
0.7269 Intermediate Similarity NPC87856
0.7269 Intermediate Similarity NPC475778
0.7269 Intermediate Similarity NPC151976
0.7253 Intermediate Similarity NPC229893

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475859 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
0.8148 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.8056 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.8009 Intermediate Similarity NPD7824 Approved
0.8 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.7982 Intermediate Similarity NPD7952 Approved
0.7982 Intermediate Similarity NPD7950 Approved
0.7982 Intermediate Similarity NPD7791 Approved
0.7982 Intermediate Similarity NPD7953 Approved
0.7982 Intermediate Similarity NPD7789 Approved
0.7982 Intermediate Similarity NPD7951 Approved
0.7982 Intermediate Similarity NPD7790 Approved
0.792 Intermediate Similarity NPD7730 Approved
0.792 Intermediate Similarity NPD7731 Approved
0.7911 Intermediate Similarity NPD7271 Approved
0.7828 Intermediate Similarity NPD7971 Clinical (unspecified phase)
0.7828 Intermediate Similarity NPD7970 Approved
0.7807 Intermediate Similarity NPD7781 Approved
0.7807 Intermediate Similarity NPD7780 Approved
0.7773 Intermediate Similarity NPD7470 Discontinued
0.7763 Intermediate Similarity NPD6164 Phase 2
0.7763 Intermediate Similarity NPD6165 Phase 2
0.7752 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD5426 Phase 3
0.7736 Intermediate Similarity NPD7618 Phase 3
0.7736 Intermediate Similarity NPD7619 Phase 3
0.7674 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD8272 Phase 2
0.7653 Intermediate Similarity NPD7944 Discontinued
0.7604 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD7666 Phase 3
0.7557 Intermediate Similarity NPD7665 Phase 2
0.7545 Intermediate Similarity NPD7001 Phase 3
0.7534 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7511 Intermediate Similarity NPD8322 Phase 2
0.7489 Intermediate Similarity NPD7711 Discontinued
0.7489 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD4601 Approved
0.7477 Intermediate Similarity NPD4600 Approved
0.7467 Intermediate Similarity NPD8094 Discontinued
0.7431 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD6999 Discontinued
0.7422 Intermediate Similarity NPD8093 Discontinued
0.7416 Intermediate Similarity NPD6595 Phase 3
0.7414 Intermediate Similarity NPD7603 Discontinued
0.7414 Intermediate Similarity NPD8289 Discontinued
0.7411 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD6732 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD2094 Phase 2
0.7346 Intermediate Similarity NPD2092 Phase 2
0.7346 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD2095 Phase 2
0.7342 Intermediate Similarity NPD8114 Approved
0.7342 Intermediate Similarity NPD7712 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD8115 Approved
0.7313 Intermediate Similarity NPD8488 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD2091 Phase 2
0.7311 Intermediate Similarity NPD2096 Phase 2
0.7293 Intermediate Similarity NPD8000 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7269 Intermediate Similarity NPD8458 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD7825 Clinical (unspecified phase)
0.7249 Intermediate Similarity NPD7543 Phase 2
0.7225 Intermediate Similarity NPD482 Approved
0.7209 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD7817 Phase 1
0.7205 Intermediate Similarity NPD8112 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD8169 Discontinued
0.7179 Intermediate Similarity NPD6173 Approved
0.7176 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD4602 Approved
0.7156 Intermediate Similarity NPD7957 Phase 1
0.7156 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD7168 Phase 3
0.7143 Intermediate Similarity NPD8072 Approved
0.7143 Intermediate Similarity NPD8271 Discontinued
0.7136 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD3486 Clinical (unspecified phase)
0.7106 Intermediate Similarity NPD7717 Approved
0.7106 Intermediate Similarity NPD7716 Approved
0.7104 Intermediate Similarity NPD6664 Approved
0.7098 Intermediate Similarity NPD8073 Approved
0.7098 Intermediate Similarity NPD6268 Phase 1
0.7098 Intermediate Similarity NPD6269 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD750 Phase 2
0.7093 Intermediate Similarity NPD2510 Approved
0.7093 Intermediate Similarity NPD2509 Approved
0.7089 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD4558 Phase 2
0.7083 Intermediate Similarity NPD7415 Suspended
0.7082 Intermediate Similarity NPD5199 Approved
0.7082 Intermediate Similarity NPD5198 Approved
0.708 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD6665 Discontinued
0.7075 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD5065 Approved
0.7054 Intermediate Similarity NPD7727 Phase 2
0.7051 Intermediate Similarity NPD3961 Discontinued
0.7048 Intermediate Similarity NPD8410 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD8250 Phase 2
0.7039 Intermediate Similarity NPD2511 Approved
0.7035 Intermediate Similarity NPD5901 Discontinued
0.7032 Intermediate Similarity NPD8240 Discontinued
0.7027 Intermediate Similarity NPD2880 Discontinued
0.7026 Intermediate Similarity NPD3393 Approved
0.7026 Intermediate Similarity NPD3394 Approved
0.7026 Intermediate Similarity NPD3389 Approved
0.7018 Intermediate Similarity NPD6965 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD4500 Approved
0.7009 Intermediate Similarity NPD4501 Approved
0.7005 Intermediate Similarity NPD7026 Phase 2
0.7 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.6996 Remote Similarity NPD2787 Clinical (unspecified phase)
0.6979 Remote Similarity NPD5884 Clinical (unspecified phase)
0.6978 Remote Similarity NPD5017 Discontinued
0.6972 Remote Similarity NPD8431 Approved
0.6971 Remote Similarity NPD4885 Approved
0.6971 Remote Similarity NPD8119 Discontinued
0.6971 Remote Similarity NPD6263 Clinical (unspecified phase)
0.6963 Remote Similarity NPD4076 Approved
0.6963 Remote Similarity NPD4079 Approved
0.6955 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6951 Remote Similarity NPD5003 Discontinued
0.6949 Remote Similarity NPD6615 Clinical (unspecified phase)
0.6947 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6944 Remote Similarity NPD8247 Approved
0.6944 Remote Similarity NPD8246 Approved
0.6943 Remote Similarity NPD2443 Approved
0.6943 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6943 Remote Similarity NPD2442 Approved
0.693 Remote Similarity NPD6277 Clinical (unspecified phase)
0.6927 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6927 Remote Similarity NPD5820 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8256 Approved
0.6923 Remote Similarity NPD8258 Clinical (unspecified phase)
0.6923 Remote Similarity NPD8257 Approved
0.692 Remote Similarity NPD4397 Phase 1
0.692 Remote Similarity NPD6995 Phase 1
0.692 Remote Similarity NPD8356 Approved
0.6916 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6916 Remote Similarity NPD3505 Approved
0.6916 Remote Similarity NPD3506 Approved
0.6914 Remote Similarity NPD8349 Phase 1
0.6912 Remote Similarity NPD6178 Phase 3
0.6909 Remote Similarity NPD4499 Approved
0.6906 Remote Similarity NPD7818 Clinical (unspecified phase)
0.6904 Remote Similarity NPD7426 Phase 1
0.6897 Remote Similarity NPD4852 Phase 2
0.6897 Remote Similarity NPD7195 Clinical (unspecified phase)
0.6894 Remote Similarity NPD6578 Clinical (unspecified phase)
0.6891 Remote Similarity NPD7202 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6454 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8430 Approved
0.6872 Remote Similarity NPD5069 Clinical (unspecified phase)
0.6869 Remote Similarity NPD6044 Discontinued
0.6867 Remote Similarity NPD7557 Clinical (unspecified phase)
0.6864 Remote Similarity NPD4555 Clinical (unspecified phase)
0.686 Remote Similarity NPD8372 Clinical (unspecified phase)
0.686 Remote Similarity NPD8284 Discontinued
0.6858 Remote Similarity NPD484 Approved
0.6856 Remote Similarity NPD7568 Phase 1
0.6851 Remote Similarity NPD5818 Discontinued
0.6849 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6844 Remote Similarity NPD6970 Phase 2
0.6842 Remote Similarity NPD5487 Phase 1
0.6842 Remote Similarity NPD6176 Phase 1
0.684 Remote Similarity NPD2125 Clinical (unspecified phase)
0.6835 Remote Similarity NPD7564 Discontinued
0.6833 Remote Similarity NPD3321 Discontinued
0.6822 Remote Similarity NPD5322 Clinical (unspecified phase)
0.6818 Remote Similarity NPD8020 Approved
0.6818 Remote Similarity NPD8021 Approved
0.6815 Remote Similarity NPD3914 Clinical (unspecified phase)
0.6814 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6812 Remote Similarity NPD6288 Clinical (unspecified phase)
0.681 Remote Similarity NPD8321 Discontinued
0.6808 Remote Similarity NPD7393 Clinical (unspecified phase)
0.6804 Remote Similarity NPD3082 Discontinued
0.6802 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6802 Remote Similarity NPD6630 Clinical (unspecified phase)
0.68 Remote Similarity NPD7948 Phase 1
0.6792 Remote Similarity NPD5862 Discovery
0.679 Remote Similarity NPD7688 Phase 1
0.6789 Remote Similarity NPD5596 Phase 2
0.6786 Remote Similarity NPD4999 Phase 3
0.6786 Remote Similarity NPD4998 Phase 3
0.6784 Remote Similarity NPD5043 Discontinued
0.6784 Remote Similarity NPD6479 Discontinued
0.6783 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6777 Remote Similarity NPD5559 Phase 2
0.6769 Remote Similarity NPD4310 Phase 3
0.6767 Remote Similarity NPD4520 Approved
0.6767 Remote Similarity NPD2408 Discontinued
0.6766 Remote Similarity NPD6481 Clinical (unspecified phase)
0.6763 Remote Similarity NPD8075 Discontinued
0.6762 Remote Similarity NPD3960 Clinical (unspecified phase)
0.6762 Remote Similarity NPD6771 Discontinued

Structure

External Identifiers

PubChem CID   16099559
ChEMBL   CHEMBL517479
ZINC  

Physicochemical Properties

Molecular Weight:  494.11
ALogP:  -1.9946
MLogP:  3
XLogP:  1.749
# Rotatable Bonds:  6
Polar Surface Area:  159.5
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  34

Download Data

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Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs