Natural Product: NPC315936

Natural Product ID:  NPC315936
Common Name:   Panosialin A
IUPAC Name:   disodium;[3-(13-methyltetradecyl)-5-sulfonatooxyphenyl] sulfate
Synonyms:  
Molecular Formula:   C21H36O8S2.2Na
Standard InCHIKey:  MENGXVYYEDLFOP-UHFFFAOYSA-L
Standard InCHI:  InChI=1S/C21H36O8S2.2Na/c1-18(2)13-11-9-7-5-3-4-6-8-10-12-14-19-15-20(28-30(22,23)24)17-21(16-19)29-31(25,26)27;;/h15-18H,3-14H2,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
Canonical SMILES:  CC(CCCCCCCCCCCCc1cc(cc(c1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C.[Na+].[Na+]
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
NPO31668 Streptomyces an1761 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5283 Individual Protein Alpha-(1,3)-fucosyltransferase 7 Homo sapiens IC50 = 4800 nM 10.1039/C4MD00086B

  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 NPC315936 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
0.9896 High Similarity NPC315022
0.8812 High Similarity NPC11280
0.8812 High Similarity NPC166313
0.8812 High Similarity NPC24407
0.8812 High Similarity NPC137415
0.8812 High Similarity NPC147310
0.8812 High Similarity NPC294186
0.8812 High Similarity NPC192032
0.8725 High Similarity NPC242342
0.8725 High Similarity NPC85479
0.8725 High Similarity NPC302219
0.8725 High Similarity NPC106396
0.8725 High Similarity NPC94351
0.8725 High Similarity NPC53051
0.8725 High Similarity NPC168303
0.8725 High Similarity NPC222522
0.8725 High Similarity NPC71002
0.8725 High Similarity NPC146798
0.8725 High Similarity NPC313030
0.8725 High Similarity NPC24404
0.8725 High Similarity NPC249828
0.8627 High Similarity NPC72947
0.8627 High Similarity NPC284011
0.8558 High Similarity NPC246056
0.8529 High Similarity NPC166761
0.8529 High Similarity NPC10588
0.8476 Intermediate Similarity NPC470700
0.8476 Intermediate Similarity NPC99836
0.8476 Intermediate Similarity NPC201662
0.8476 Intermediate Similarity NPC39097
0.8476 Intermediate Similarity NPC12640
0.8476 Intermediate Similarity NPC302681
0.8476 Intermediate Similarity NPC39664
0.8476 Intermediate Similarity NPC109691
0.8476 Intermediate Similarity NPC118286
0.8396 Intermediate Similarity NPC61033
0.8396 Intermediate Similarity NPC232523
0.8396 Intermediate Similarity NPC158253
0.8396 Intermediate Similarity NPC204901
0.8396 Intermediate Similarity NPC305603
0.8396 Intermediate Similarity NPC54844
0.8381 Intermediate Similarity NPC134829
0.8381 Intermediate Similarity NPC37802
0.8286 Intermediate Similarity NPC244513
0.8286 Intermediate Similarity NPC227458
0.8286 Intermediate Similarity NPC218879
0.8286 Intermediate Similarity NPC241891
0.8273 Intermediate Similarity NPC23804
0.8241 Intermediate Similarity NPC299568
0.8241 Intermediate Similarity NPC186385
0.8119 Intermediate Similarity NPC295295
0.8095 Intermediate Similarity NPC100340
0.8095 Intermediate Similarity NPC143659
0.8091 Intermediate Similarity NPC224527
0.8073 Intermediate Similarity NPC33728
0.8073 Intermediate Similarity NPC19808
0.8018 Intermediate Similarity NPC166995
0.8018 Intermediate Similarity NPC43525
0.8 Intermediate Similarity NPC2682
0.7982 Intermediate Similarity NPC174981
0.7946 Intermediate Similarity NPC162113
0.7946 Intermediate Similarity NPC319803
0.7946 Intermediate Similarity NPC62546
0.7946 Intermediate Similarity NPC263753
0.7944 Intermediate Similarity NPC102216
0.7944 Intermediate Similarity NPC30506
0.7941 Intermediate Similarity NPC210497
0.7941 Intermediate Similarity NPC147284
0.7941 Intermediate Similarity NPC306884
0.7941 Intermediate Similarity NPC162314
0.7941 Intermediate Similarity NPC3358
0.7941 Intermediate Similarity NPC94139
0.7928 Intermediate Similarity NPC4493
0.7928 Intermediate Similarity NPC165770
0.7928 Intermediate Similarity NPC476632
0.7928 Intermediate Similarity NPC225679
0.7913 Intermediate Similarity NPC9592
0.7913 Intermediate Similarity NPC48781
0.7895 Intermediate Similarity NPC114064
0.7895 Intermediate Similarity NPC123559
0.7857 Intermediate Similarity NPC473521
0.7838 Intermediate Similarity NPC168657
0.7826 Intermediate Similarity NPC470759
0.7826 Intermediate Similarity NPC15860
0.7826 Intermediate Similarity NPC471503
0.7826 Intermediate Similarity NPC471498
0.7826 Intermediate Similarity NPC127894
0.7826 Intermediate Similarity NPC219070
0.7818 Intermediate Similarity NPC245115
0.781 Intermediate Similarity NPC291789
0.7807 Intermediate Similarity NPC84999
0.7807 Intermediate Similarity NPC246760
0.7798 Intermediate Similarity NPC469913
0.7788 Intermediate Similarity NPC261343
0.7788 Intermediate Similarity NPC117846
0.7759 Intermediate Similarity NPC206
0.7745 Intermediate Similarity NPC192
0.7739 Intermediate Similarity NPC115808
0.7736 Intermediate Similarity NPC80027
0.7727 Intermediate Similarity NPC35543
0.7719 Intermediate Similarity NPC107240
0.7706 Intermediate Similarity NPC292452
0.7706 Intermediate Similarity NPC474839
0.7679 Intermediate Similarity NPC224870
0.7679 Intermediate Similarity NPC242178
0.7679 Intermediate Similarity NPC303521
0.7672 Intermediate Similarity NPC470760
0.7672 Intermediate Similarity NPC277588
0.7664 Intermediate Similarity NPC161571
0.7664 Intermediate Similarity NPC248396
0.7664 Intermediate Similarity NPC275053
0.7664 Intermediate Similarity NPC48730
0.7664 Intermediate Similarity NPC129373
0.7664 Intermediate Similarity NPC248573
0.7658 Intermediate Similarity NPC63698
0.7658 Intermediate Similarity NPC61885
0.7652 Intermediate Similarity NPC53906
0.7647 Intermediate Similarity NPC477886
0.7642 Intermediate Similarity NPC470161
0.7636 Intermediate Similarity NPC248904
0.7627 Intermediate Similarity NPC471504
0.7627 Intermediate Similarity NPC69006
0.7627 Intermediate Similarity NPC473290
0.7619 Intermediate Similarity NPC32714
0.7615 Intermediate Similarity NPC119860
0.7611 Intermediate Similarity NPC268032
0.7607 Intermediate Similarity NPC144343
0.7593 Intermediate Similarity NPC477685
0.7589 Intermediate Similarity NPC82016
0.7583 Intermediate Similarity NPC122175
0.757 Intermediate Similarity NPC260775
0.7565 Intermediate Similarity NPC22610
0.7565 Intermediate Similarity NPC276737
0.7563 Intermediate Similarity NPC24125
0.7549 Intermediate Similarity NPC27974
0.7542 Intermediate Similarity NPC217174
0.7542 Intermediate Similarity NPC191866
0.7542 Intermediate Similarity NPC475961
0.7542 Intermediate Similarity NPC254625
0.7524 Intermediate Similarity NPC76938
0.7522 Intermediate Similarity NPC475018
0.7521 Intermediate Similarity NPC474933
0.7521 Intermediate Similarity NPC69261
0.7521 Intermediate Similarity NPC33270
0.75 Intermediate Similarity NPC237667
0.75 Intermediate Similarity NPC70677
0.75 Intermediate Similarity NPC72729
0.75 Intermediate Similarity NPC808
0.75 Intermediate Similarity NPC39029
0.75 Intermediate Similarity NPC472893
0.75 Intermediate Similarity NPC130756
0.75 Intermediate Similarity NPC12931
0.7479 Intermediate Similarity NPC223451
0.7478 Intermediate Similarity NPC204120
0.7477 Intermediate Similarity NPC79241
0.7477 Intermediate Similarity NPC474073
0.7477 Intermediate Similarity NPC152097
0.7477 Intermediate Similarity NPC6597
0.7477 Intermediate Similarity NPC164576
0.7459 Intermediate Similarity NPC174729
0.7459 Intermediate Similarity NPC139774
0.7458 Intermediate Similarity NPC190514
0.7458 Intermediate Similarity NPC474612
0.7456 Intermediate Similarity NPC469912
0.7455 Intermediate Similarity NPC323810
0.7453 Intermediate Similarity NPC222146
0.7436 Intermediate Similarity NPC141090
0.7436 Intermediate Similarity NPC150624
0.7434 Intermediate Similarity NPC202647
0.7431 Intermediate Similarity NPC252105
0.7429 Intermediate Similarity NPC55903
0.7419 Intermediate Similarity NPC257947
0.7411 Intermediate Similarity NPC66834
0.7404 Intermediate Similarity NPC55561
0.7395 Intermediate Similarity NPC184302
0.7387 Intermediate Similarity NPC471350
0.7383 Intermediate Similarity NPC312132
0.7383 Intermediate Similarity NPC259512
0.7383 Intermediate Similarity NPC473388
0.7379 Intermediate Similarity NPC19680
0.7377 Intermediate Similarity NPC53567
0.7364 Intermediate Similarity NPC471228
0.7364 Intermediate Similarity NPC196479
0.7364 Intermediate Similarity NPC108497
0.7364 Intermediate Similarity NPC235762
0.7355 Intermediate Similarity NPC476633
0.735 Intermediate Similarity NPC167934
0.7345 Intermediate Similarity NPC105727
0.7345 Intermediate Similarity NPC58427
0.7345 Intermediate Similarity NPC114392
0.7345 Intermediate Similarity NPC34864
0.7339 Intermediate Similarity NPC237517
0.7339 Intermediate Similarity NPC186845
0.7339 Intermediate Similarity NPC111723
0.7339 Intermediate Similarity NPC88297
0.7339 Intermediate Similarity NPC9891
0.7339 Intermediate Similarity NPC294741
0.7339 Intermediate Similarity NPC91204
0.7333 Intermediate Similarity NPC304541
0.7321 Intermediate Similarity NPC155072

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC315936 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
0.8241 Intermediate Similarity NPD4750 Phase 3
0.7925 Intermediate Similarity NPD940 Approved
0.7925 Intermediate Similarity NPD846 Approved
0.7664 Intermediate Similarity NPD1242 Phase 1
0.7453 Intermediate Similarity NPD844 Approved
0.7407 Intermediate Similarity NPD3020 Approved
0.7383 Intermediate Similarity NPD288 Approved
0.729 Intermediate Similarity NPD2859 Approved
0.729 Intermediate Similarity NPD2860 Approved
0.7281 Intermediate Similarity NPD3022 Approved
0.7281 Intermediate Similarity NPD3021 Approved
0.7236 Intermediate Similarity NPD4749 Approved
0.72 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD2934 Approved
0.7196 Intermediate Similarity NPD2933 Approved
0.7182 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD3028 Approved
0.7107 Intermediate Similarity NPD3025 Approved
0.7107 Intermediate Similarity NPD3024 Approved
0.7103 Intermediate Similarity NPD845 Approved
0.7049 Intermediate Similarity NPD3095 Discontinued
0.7034 Intermediate Similarity NPD5283 Phase 1
0.7018 Intermediate Similarity NPD1444 Approved
0.7018 Intermediate Similarity NPD1445 Approved
0.7016 Intermediate Similarity NPD2981 Phase 2
0.7 Intermediate Similarity NPD7325 Clinical (unspecified phase)
0.6992 Remote Similarity NPD3023 Approved
0.6992 Remote Similarity NPD3026 Approved
0.6977 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6975 Remote Similarity NPD475 Phase 2
0.696 Remote Similarity NPD2982 Phase 2
0.696 Remote Similarity NPD2983 Phase 2
0.6949 Remote Similarity NPD7635 Approved
0.6931 Remote Similarity NPD9093 Approved
0.6917 Remote Similarity NPD6387 Discontinued
0.6899 Remote Similarity NPD3027 Phase 3
0.6875 Remote Similarity NPD3018 Phase 2
0.6863 Remote Similarity NPD9089 Approved
0.685 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6838 Remote Similarity NPD1792 Phase 2
0.6827 Remote Similarity NPD111 Approved
0.6822 Remote Similarity NPD4908 Phase 1
0.6818 Remote Similarity NPD1809 Phase 2
0.6807 Remote Similarity NPD7843 Approved
0.6777 Remote Similarity NPD6671 Approved
0.6777 Remote Similarity NPD7157 Approved
0.6769 Remote Similarity NPD4625 Phase 3
0.675 Remote Similarity NPD496 Approved
0.675 Remote Similarity NPD495 Approved
0.675 Remote Similarity NPD498 Approved
0.6718 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6716 Remote Similarity NPD6111 Discontinued
0.6694 Remote Similarity NPD497 Approved
0.6667 Remote Similarity NPD858 Approved
0.6667 Remote Similarity NPD602 Approved
0.6667 Remote Similarity NPD1610 Phase 2
0.6667 Remote Similarity NPD859 Approved
0.6667 Remote Similarity NPD3892 Phase 2
0.6667 Remote Similarity NPD599 Approved
0.664 Remote Similarity NPD2107 Clinical (unspecified phase)
0.6618 Remote Similarity NPD3539 Phase 1
0.6618 Remote Similarity NPD6099 Approved
0.6618 Remote Similarity NPD6100 Approved
0.6615 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6613 Remote Similarity NPD3091 Approved
0.6612 Remote Similarity NPD2229 Approved
0.6612 Remote Similarity NPD2234 Approved
0.6612 Remote Similarity NPD2228 Approved
0.661 Remote Similarity NPD2684 Approved
0.6609 Remote Similarity NPD9500 Approved
0.6589 Remote Similarity NPD3094 Phase 2
0.6583 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6569 Remote Similarity NPD3540 Phase 1
0.6565 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6565 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6555 Remote Similarity NPD5451 Approved
0.6547 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6535 Remote Similarity NPD3705 Approved
0.6535 Remote Similarity NPD3092 Approved
0.6529 Remote Similarity NPD5535 Approved
0.6525 Remote Similarity NPD2342 Discontinued
0.6519 Remote Similarity NPD2568 Approved
0.6508 Remote Similarity NPD17 Approved
0.6508 Remote Similarity NPD4059 Approved
0.6508 Remote Similarity NPD2932 Approved
0.6508 Remote Similarity NPD3019 Approved
0.6481 Remote Similarity NPD9094 Approved
0.648 Remote Similarity NPD1548 Phase 1
0.6475 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6466 Remote Similarity NPD1296 Phase 2
0.6466 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6454 Remote Similarity NPD7124 Phase 2
0.6446 Remote Similarity NPD1139 Approved
0.6446 Remote Similarity NPD228 Approved
0.6446 Remote Similarity NPD1137 Approved
0.6444 Remote Similarity NPD3657 Discovery
0.6441 Remote Similarity NPD3134 Approved
0.6434 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6434 Remote Similarity NPD5327 Phase 3
0.6429 Remote Similarity NPD4093 Discontinued
0.6429 Remote Similarity NPD9268 Approved
0.6429 Remote Similarity NPD5691 Approved
0.6423 Remote Similarity NPD1793 Approved
0.6423 Remote Similarity NPD1791 Approved
0.6414 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6406 Remote Similarity NPD422 Phase 1
0.6404 Remote Similarity NPD9273 Approved
0.6393 Remote Similarity NPD1138 Approved
0.6385 Remote Similarity NPD6696 Suspended
0.6378 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6378 Remote Similarity NPD4626 Approved
0.637 Remote Similarity NPD2238 Phase 2
0.637 Remote Similarity NPD1612 Clinical (unspecified phase)
0.637 Remote Similarity NPD943 Approved
0.637 Remote Similarity NPD1613 Approved
0.6364 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6357 Remote Similarity NPD2230 Approved
0.6357 Remote Similarity NPD9269 Phase 2
0.6357 Remote Similarity NPD2233 Approved
0.6357 Remote Similarity NPD1608 Approved
0.6357 Remote Similarity NPD2232 Approved
0.6349 Remote Similarity NPD7330 Discontinued
0.6328 Remote Similarity NPD3496 Discontinued
0.6304 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6299 Remote Similarity NPD1651 Approved
0.6299 Remote Similarity NPD5585 Approved
0.6294 Remote Similarity NPD7390 Discontinued
0.6294 Remote Similarity NPD7837 Clinical (unspecified phase)
0.629 Remote Similarity NPD9614 Approved
0.629 Remote Similarity NPD1476 Clinical (unspecified phase)
0.629 Remote Similarity NPD9618 Approved
0.6281 Remote Similarity NPD9380 Clinical (unspecified phase)
0.6271 Remote Similarity NPD9608 Approved
0.6271 Remote Similarity NPD9610 Approved
0.627 Remote Similarity NPD5536 Phase 2
0.6268 Remote Similarity NPD5307 Clinical (unspecified phase)
0.626 Remote Similarity NPD9379 Approved
0.626 Remote Similarity NPD9377 Approved
0.625 Remote Similarity NPD290 Approved
0.625 Remote Similarity NPD1751 Approved
0.625 Remote Similarity NPD1358 Approved
0.625 Remote Similarity NPD2668 Approved
0.625 Remote Similarity NPD2667 Approved
0.6241 Remote Similarity NPD2861 Phase 2
0.6241 Remote Similarity NPD5736 Approved
0.624 Remote Similarity NPD709 Approved
0.6232 Remote Similarity NPD2200 Suspended
0.622 Remote Similarity NPD7741 Discontinued
0.622 Remote Similarity NPD2226 Clinical (unspecified phase)
0.6204 Remote Similarity NPD230 Phase 1
0.62 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6197 Remote Similarity NPD7466 Approved
0.619 Remote Similarity NPD7636 Approved
0.6186 Remote Similarity NPD9261 Approved
0.6183 Remote Similarity NPD4659 Approved
0.6176 Remote Similarity NPD6405 Approved
0.6176 Remote Similarity NPD6407 Approved
0.6172 Remote Similarity NPD4235 Clinical (unspecified phase)
0.617 Remote Similarity NPD970 Clinical (unspecified phase)
0.6165 Remote Similarity NPD4624 Approved
0.6165 Remote Similarity NPD7905 Discontinued
0.6164 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1281 Approved
0.6154 Remote Similarity NPD1201 Approved
0.6154 Remote Similarity NPD1611 Approved
0.6148 Remote Similarity NPD7095 Approved
0.6143 Remote Similarity NPD2796 Approved
0.6142 Remote Similarity NPD16 Approved
0.6142 Remote Similarity NPD9613 Approved
0.6142 Remote Similarity NPD9616 Approved
0.6142 Remote Similarity NPD9615 Approved
0.6142 Remote Similarity NPD1758 Phase 1
0.6142 Remote Similarity NPD856 Approved
0.6136 Remote Similarity NPD8651 Approved
0.6131 Remote Similarity NPD6346 Approved
0.6129 Remote Similarity NPD821 Approved
0.6124 Remote Similarity NPD9384 Approved
0.6124 Remote Similarity NPD9381 Approved
0.6124 Remote Similarity NPD2286 Discontinued
0.6124 Remote Similarity NPD1778 Approved
0.6119 Remote Similarity NPD2237 Approved
0.6111 Remote Similarity NPD2557 Approved
0.6107 Remote Similarity NPD2231 Phase 2
0.6107 Remote Similarity NPD2235 Phase 2
0.6107 Remote Similarity NPD1244 Clinical (unspecified phase)
0.6103 Remote Similarity NPD5110 Phase 2
0.6103 Remote Similarity NPD5109 Approved
0.6103 Remote Similarity NPD5111 Phase 2
0.6102 Remote Similarity NPD4817 Approved
0.6102 Remote Similarity NPD4818 Approved
0.6099 Remote Similarity NPD5763 Approved
0.6099 Remote Similarity NPD7266 Discontinued
0.6099 Remote Similarity NPD5762 Approved
0.6094 Remote Similarity NPD316 Approved
0.6094 Remote Similarity NPD1759 Phase 1
0.6094 Remote Similarity NPD5303 Approved
0.6094 Remote Similarity NPD5304 Approved

Structure

External Identifiers

PubChem CID   10459467
ChEMBL   CHEMBL3596264
ZINC  

Physicochemical Properties

Molecular Weight:  478.17
ALogP:  -4.3629
MLogP:  2.67
XLogP:  6.504
# Rotatable Bonds:  21
Polar Surface Area:  149.62
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  31

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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