Natural Product: NPC196243

Natural Product ID:  NPC196243
Common Name:   Oscillamide C
IUPAC Name:   (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-12-[(2S)-butan-2-yl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
Synonyms:   Oscillamide C
Molecular Formula:   C49H68N10O10
Standard InCHIKey:  TTWROJJNRKDVPJ-FVCPQTOGSA-N
Standard InCHI:  InChI=1S/C49H68N10O10/c1-4-30(2)41-45(65)54-37(25-19-31-15-21-34(60)22-16-31)46(66)59(3)40(26-20-32-17-23-35(61)24-18-32)44(64)55-39(29-33-11-6-5-7-12-33)42(62)52-27-9-8-13-36(43(63)58-41)56-49(69)57-38(47(67)68)14-10-28-53-48(50)51/h5-7,11-12,15-18,21-24,30,36-41,60-61H,4,8-10,13-14,19-20,25-29H2,1-3H3,(H,52,62)(H,54,65)(H,55,64)(H,58,63)(H,67,68)(H4,50,51,53)(H2,56,57,69)/t30-,36+,37-,38-,39-,40-,41-/m0/s1
Canonical SMILES:  CC[C@@H]([C@@H]1N=C(O)[C@@H](CCCCN=C([C@@H](N=C([C@@H](N(C(=O)[C@@H](N=C1O)CCc1ccc(cc1)O)C)CCc1ccc(cc1)O)O)Cc1ccccc1)O)N=C(N[C@H](C(=O)O)CCCNC(=N)N)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
NPO33422 planktothrix spp. Species Microcoleaceae Bacteria PMID[11520225]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 97.3 % 18942825
NPT2 Others Unspecified Inhibition = 98.4 % 10924177
NPT2 Others Unspecified IC50 = 1330 nM 24224843
NPT2 Others Unspecified IC50 = 900 nM 15969497

  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 NPC196243 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
0.9745 High Similarity NPC276506
0.9745 High Similarity NPC198254
0.9745 High Similarity NPC274198
0.9554 High Similarity NPC304074
0.9554 High Similarity NPC290755
0.9554 High Similarity NPC471771
0.949 High Similarity NPC223207
0.9299 High Similarity NPC475544
0.9299 High Similarity NPC469243
0.9212 High Similarity NPC153554
0.9045 High Similarity NPC473580
0.8909 High Similarity NPC475532
0.8855 High Similarity NPC165285
0.8786 High Similarity NPC240130
0.8786 High Similarity NPC61332
0.8727 High Similarity NPC129486
0.8636 High Similarity NPC302715
0.8631 High Similarity NPC17698
0.8596 High Similarity NPC473404
0.8563 High Similarity NPC94862
0.8503 High Similarity NPC280022
0.85 High Similarity NPC233702
0.848 Intermediate Similarity NPC119652
0.848 Intermediate Similarity NPC97526
0.8443 Intermediate Similarity NPC328649
0.8353 Intermediate Similarity NPC306804
0.8323 Intermediate Similarity NPC63931
0.8305 Intermediate Similarity NPC102959
0.8258 Intermediate Similarity NPC60516
0.825 Intermediate Similarity NPC16188
0.8225 Intermediate Similarity NPC141957
0.8221 Intermediate Similarity NPC202198
0.8217 Intermediate Similarity NPC48202
0.8198 Intermediate Similarity NPC155506
0.8198 Intermediate Similarity NPC159767
0.8187 Intermediate Similarity NPC230611
0.8166 Intermediate Similarity NPC61004
0.8161 Intermediate Similarity NPC45037
0.8161 Intermediate Similarity NPC269750
0.8161 Intermediate Similarity NPC194671
0.8153 Intermediate Similarity NPC132636
0.814 Intermediate Similarity NPC137627
0.8129 Intermediate Similarity NPC46009
0.8095 Intermediate Similarity NPC241794
0.8092 Intermediate Similarity NPC473402
0.8092 Intermediate Similarity NPC279871
0.8079 Intermediate Similarity NPC294951
0.8077 Intermediate Similarity NPC477632
0.8077 Intermediate Similarity NPC477638
0.8046 Intermediate Similarity NPC50016
0.8043 Intermediate Similarity NPC477552
0.8043 Intermediate Similarity NPC477550
0.8035 Intermediate Similarity NPC273755
0.8012 Intermediate Similarity NPC294516
0.8012 Intermediate Similarity NPC107938
0.7989 Intermediate Similarity NPC26108
0.7989 Intermediate Similarity NPC476227
0.7977 Intermediate Similarity NPC89831
0.7962 Intermediate Similarity NPC267237
0.7957 Intermediate Similarity NPC477551
0.7947 Intermediate Similarity NPC478005
0.7937 Intermediate Similarity NPC476989
0.7935 Intermediate Similarity NPC477639
0.7919 Intermediate Similarity NPC475123
0.7919 Intermediate Similarity NPC475204
0.7919 Intermediate Similarity NPC40234
0.7914 Intermediate Similarity NPC311658
0.791 Intermediate Similarity NPC475409
0.791 Intermediate Similarity NPC475564
0.791 Intermediate Similarity NPC170302
0.7898 Intermediate Similarity NPC244866
0.7892 Intermediate Similarity NPC261934
0.7892 Intermediate Similarity NPC56685
0.7892 Intermediate Similarity NPC5194
0.7886 Intermediate Similarity NPC473354
0.7861 Intermediate Similarity NPC66490
0.7861 Intermediate Similarity NPC469443
0.7857 Intermediate Similarity NPC473305
0.7857 Intermediate Similarity NPC163961
0.7857 Intermediate Similarity NPC477636
0.7838 Intermediate Similarity NPC329295
0.7834 Intermediate Similarity NPC326966
0.7829 Intermediate Similarity NPC248670
0.7821 Intermediate Similarity NPC471526
0.7797 Intermediate Similarity NPC473546
0.7784 Intermediate Similarity NPC136797
0.7784 Intermediate Similarity NPC262166
0.7784 Intermediate Similarity NPC471165
0.7784 Intermediate Similarity NPC158277
0.7772 Intermediate Similarity NPC477631
0.7771 Intermediate Similarity NPC473491
0.7765 Intermediate Similarity NPC244336
0.7764 Intermediate Similarity NPC214988
0.7707 Intermediate Similarity NPC325651
0.7706 Intermediate Similarity NPC326349
0.7706 Intermediate Similarity NPC323336
0.7705 Intermediate Similarity NPC234069
0.7701 Intermediate Similarity NPC209463
0.7701 Intermediate Similarity NPC302597
0.7667 Intermediate Similarity NPC476321
0.7663 Intermediate Similarity NPC174122
0.7663 Intermediate Similarity NPC64140
0.7661 Intermediate Similarity NPC287757
0.7661 Intermediate Similarity NPC319320
0.7637 Intermediate Similarity NPC138083
0.7617 Intermediate Similarity NPC220060
0.7611 Intermediate Similarity NPC32064
0.761 Intermediate Similarity NPC257390
0.76 Intermediate Similarity NPC478007
0.7593 Intermediate Similarity NPC242159
0.7593 Intermediate Similarity NPC313694
0.7588 Intermediate Similarity NPC244509
0.7584 Intermediate Similarity NPC164608
0.7582 Intermediate Similarity NPC471048
0.7582 Intermediate Similarity NPC471049
0.7582 Intermediate Similarity NPC471050
0.7579 Intermediate Similarity NPC473450
0.7578 Intermediate Similarity NPC314835
0.7577 Intermediate Similarity NPC469444
0.7561 Intermediate Similarity NPC168861
0.7558 Intermediate Similarity NPC1390
0.7558 Intermediate Similarity NPC62104
0.7554 Intermediate Similarity NPC96275
0.753 Intermediate Similarity NPC81026
0.753 Intermediate Similarity NPC314114
0.7529 Intermediate Similarity NPC289776
0.7529 Intermediate Similarity NPC191863
0.7529 Intermediate Similarity NPC133470
0.7527 Intermediate Similarity NPC473407
0.7527 Intermediate Similarity NPC473378
0.7525 Intermediate Similarity NPC478008
0.7516 Intermediate Similarity NPC477937
0.7514 Intermediate Similarity NPC114806
0.75 Intermediate Similarity NPC324850
0.7485 Intermediate Similarity NPC476268
0.7473 Intermediate Similarity NPC51047
0.7473 Intermediate Similarity NPC477637
0.747 Intermediate Similarity NPC266741
0.7462 Intermediate Similarity NPC469445
0.7457 Intermediate Similarity NPC24617
0.7446 Intermediate Similarity NPC235194
0.7446 Intermediate Similarity NPC299806
0.7438 Intermediate Similarity NPC255447
0.7436 Intermediate Similarity NPC219350
0.7436 Intermediate Similarity NPC194699
0.7421 Intermediate Similarity NPC111428
0.7412 Intermediate Similarity NPC300443
0.7405 Intermediate Similarity NPC276120
0.7386 Intermediate Similarity NPC210377
0.7386 Intermediate Similarity NPC217804
0.7386 Intermediate Similarity NPC22883
0.7386 Intermediate Similarity NPC5719
0.7379 Intermediate Similarity NPC323244
0.7353 Intermediate Similarity NPC324081
0.7345 Intermediate Similarity NPC15068
0.733 Intermediate Similarity NPC471592
0.7326 Intermediate Similarity NPC246591
0.7326 Intermediate Similarity NPC39431
0.7312 Intermediate Similarity NPC473322
0.7303 Intermediate Similarity NPC63040
0.7288 Intermediate Similarity NPC472923
0.7287 Intermediate Similarity NPC29531
0.7286 Intermediate Similarity NPC277306
0.7286 Intermediate Similarity NPC469442
0.7278 Intermediate Similarity NPC328494
0.7267 Intermediate Similarity NPC473341
0.7263 Intermediate Similarity NPC65714
0.7263 Intermediate Similarity NPC328763
0.7261 Intermediate Similarity NPC27581
0.7249 Intermediate Similarity NPC470728
0.7249 Intermediate Similarity NPC248822
0.7238 Intermediate Similarity NPC328924
0.7225 Intermediate Similarity NPC80514
0.7214 Intermediate Similarity NPC25539
0.7202 Intermediate Similarity NPC326241
0.7197 Intermediate Similarity NPC71684
0.7188 Intermediate Similarity NPC473371
0.7184 Intermediate Similarity NPC469903
0.7174 Intermediate Similarity NPC475421
0.7173 Intermediate Similarity NPC314083
0.7168 Intermediate Similarity NPC122590
0.7167 Intermediate Similarity NPC469904
0.7167 Intermediate Similarity NPC186617
0.7166 Intermediate Similarity NPC315542
0.7143 Intermediate Similarity NPC91953
0.7135 Intermediate Similarity NPC471563
0.7127 Intermediate Similarity NPC471568
0.7127 Intermediate Similarity NPC473693
0.7127 Intermediate Similarity NPC196091
0.7119 Intermediate Similarity NPC473003
0.7119 Intermediate Similarity NPC469902
0.7119 Intermediate Similarity NPC471527
0.7113 Intermediate Similarity NPC50548
0.7113 Intermediate Similarity NPC323662
0.7111 Intermediate Similarity NPC473502
0.7102 Intermediate Similarity NPC56635
0.7099 Intermediate Similarity NPC296712
0.7083 Intermediate Similarity NPC197921
0.7072 Intermediate Similarity NPC315388
0.707 Intermediate Similarity NPC283760

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC196243 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
0.8951 High Similarity NPD8303 Discontinued
0.8875 High Similarity NPD8019 Approved
0.8758 High Similarity NPD7495 Discontinued
0.8447 Intermediate Similarity NPD7523 Phase 3
0.7937 Intermediate Similarity NPD7450 Phase 2
0.7888 Intermediate Similarity NPD8076 Discontinued
0.7857 Intermediate Similarity NPD7617 Discontinued
0.7853 Intermediate Similarity NPD7066 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6809 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD6901 Phase 3
0.7684 Intermediate Similarity NPD5200 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD6670 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD6078 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD7303 Discontinued
0.744 Intermediate Similarity NPD8290 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6866 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6867 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD3136 Phase 2
0.7317 Intermediate Similarity NPD4782 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD7484 Phase 3
0.7263 Intermediate Similarity NPD7485 Phase 3
0.7258 Intermediate Similarity NPD5946 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD7451 Discontinued
0.7246 Intermediate Similarity NPD7978 Discontinued
0.7222 Intermediate Similarity NPD7608 Discontinued
0.7222 Intermediate Similarity NPD4652 Approved
0.7193 Intermediate Similarity NPD6682 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD2098 Approved
0.7168 Intermediate Similarity NPD7131 Phase 3
0.7143 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6297 Approved
0.7135 Intermediate Similarity NPD5445 Approved
0.7101 Intermediate Similarity NPD5341 Clinical (unspecified phase)
0.7088 Intermediate Similarity NPD5137 Approved
0.7079 Intermediate Similarity NPD2097 Approved
0.7074 Intermediate Similarity NPD6851 Approved
0.7074 Intermediate Similarity NPD6853 Approved
0.7072 Intermediate Similarity NPD2888 Approved
0.7072 Intermediate Similarity NPD2890 Approved
0.7072 Intermediate Similarity NPD2017 Approved
0.7072 Intermediate Similarity NPD2889 Approved
0.7065 Intermediate Similarity NPD8022 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD4677 Discontinued
0.7055 Intermediate Similarity NPD5263 Approved
0.7048 Intermediate Similarity NPD8292 Phase 2
0.703 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3071 Approved
0.7 Intermediate Similarity NPD3073 Approved
0.7 Intermediate Similarity NPD3072 Approved
0.6988 Remote Similarity NPD6346 Approved
0.6983 Remote Similarity NPD5967 Approved
0.697 Remote Similarity NPD1329 Clinical (unspecified phase)
0.697 Remote Similarity NPD1330 Phase 2
0.697 Remote Similarity NPD3632 Clinical (unspecified phase)
0.6946 Remote Similarity NPD3908 Approved
0.6937 Remote Similarity NPD4761 Approved
0.6937 Remote Similarity NPD4762 Approved
0.6923 Remote Similarity NPD5301 Clinical (unspecified phase)
0.6909 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6905 Remote Similarity NPD6073 Approved
0.6882 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6879 Remote Similarity NPD9568 Approved
0.6879 Remote Similarity NPD8323 Discontinued
0.6867 Remote Similarity NPD5581 Approved
0.686 Remote Similarity NPD6860 Clinical (unspecified phase)
0.6859 Remote Similarity NPD6967 Phase 2
0.6855 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6848 Remote Similarity NPD4676 Approved
0.6842 Remote Similarity NPD7720 Phase 2
0.6839 Remote Similarity NPD7554 Discontinued
0.6834 Remote Similarity NPD6255 Approved
0.6834 Remote Similarity NPD6254 Approved
0.6834 Remote Similarity NPD6256 Approved
0.6827 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7728 Clinical (unspecified phase)
0.6813 Remote Similarity NPD8031 Discontinued
0.681 Remote Similarity NPD3125 Approved
0.6804 Remote Similarity NPD7283 Approved
0.6802 Remote Similarity NPD6681 Discovery
0.68 Remote Similarity NPD8163 Clinical (unspecified phase)
0.68 Remote Similarity NPD8162 Phase 2
0.6788 Remote Similarity NPD4177 Approved
0.6788 Remote Similarity NPD4175 Approved
0.6788 Remote Similarity NPD3040 Approved
0.6784 Remote Similarity NPD6253 Approved
0.6782 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6766 Remote Similarity NPD5152 Clinical (unspecified phase)
0.6758 Remote Similarity NPD4565 Clinical (unspecified phase)
0.6758 Remote Similarity NPD4564 Clinical (unspecified phase)
0.6746 Remote Similarity NPD4757 Clinical (unspecified phase)
0.6743 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6734 Remote Similarity NPD7811 Phase 3
0.6734 Remote Similarity NPD7810 Phase 3
0.6728 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6727 Remote Similarity NPD4151 Approved
0.6723 Remote Similarity NPD7613 Discontinued
0.672 Remote Similarity NPD7695 Clinical (unspecified phase)
0.6719 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7282 Approved
0.6715 Remote Similarity NPD6188 Approved
0.6715 Remote Similarity NPD6189 Approved
0.6706 Remote Similarity NPD5725 Approved
0.6705 Remote Similarity NPD6088 Approved
0.6705 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6701 Remote Similarity NPD7669 Phase 3
0.6687 Remote Similarity NPD2561 Approved
0.6687 Remote Similarity NPD2562 Approved
0.6687 Remote Similarity NPD9569 Approved
0.6686 Remote Similarity NPD6623 Phase 3
0.6667 Remote Similarity NPD3055 Approved
0.6667 Remote Similarity NPD6747 Phase 1
0.6667 Remote Similarity NPD3053 Approved
0.6667 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6187 Approved
0.6667 Remote Similarity NPD6294 Approved
0.6667 Remote Similarity NPD6295 Approved
0.6649 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6649 Remote Similarity NPD8103 Clinical (unspecified phase)
0.663 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6629 Remote Similarity NPD3400 Discontinued
0.6629 Remote Similarity NPD1967 Approved
0.6629 Remote Similarity NPD1968 Approved
0.6627 Remote Similarity NPD259 Phase 1
0.6615 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6615 Remote Similarity NPD8025 Phase 2
0.661 Remote Similarity NPD6631 Clinical (unspecified phase)
0.6608 Remote Similarity NPD2568 Approved
0.6607 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6606 Remote Similarity NPD5311 Approved
0.6606 Remote Similarity NPD5310 Approved
0.6604 Remote Similarity NPD256 Approved
0.6604 Remote Similarity NPD255 Approved
0.6601 Remote Similarity NPD6480 Clinical (unspecified phase)
0.6595 Remote Similarity NPD8245 Clinical (unspecified phase)
0.6593 Remote Similarity NPD5355 Approved
0.6593 Remote Similarity NPD5356 Approved
0.6591 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6588 Remote Similarity NPD4153 Approved
0.6588 Remote Similarity NPD5296 Approved
0.6573 Remote Similarity NPD6796 Discontinued
0.6571 Remote Similarity NPD2211 Approved
0.6571 Remote Similarity NPD2209 Approved
0.657 Remote Similarity NPD3553 Approved
0.657 Remote Similarity NPD3552 Approved
0.657 Remote Similarity NPD3554 Approved
0.657 Remote Similarity NPD3555 Approved
0.6566 Remote Similarity NPD2585 Clinical (unspecified phase)
0.6562 Remote Similarity NPD5192 Clinical (unspecified phase)
0.655 Remote Similarity NPD555 Phase 2
0.655 Remote Similarity NPD8643 Discontinued
0.6548 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6548 Remote Similarity NPD7668 Phase 2
0.6546 Remote Similarity NPD6557 Phase 2
0.6531 Remote Similarity NPD7855 Clinical (unspecified phase)
0.6529 Remote Similarity NPD5745 Approved
0.6529 Remote Similarity NPD5747 Discontinued
0.6529 Remote Similarity NPD7634 Clinical (unspecified phase)
0.6517 Remote Similarity NPD5856 Discontinued
0.6512 Remote Similarity NPD8172 Phase 2
0.6512 Remote Similarity NPD8173 Phase 2
0.6512 Remote Similarity NPD5314 Approved
0.6509 Remote Similarity NPD9537 Phase 1
0.6509 Remote Similarity NPD9536 Phase 1
0.6495 Remote Similarity NPD7280 Phase 3
0.6495 Remote Similarity NPD7281 Phase 3
0.6491 Remote Similarity NPD5323 Approved
0.6474 Remote Similarity NPD4126 Approved
0.6474 Remote Similarity NPD8154 Clinical (unspecified phase)
0.6474 Remote Similarity NPD6852 Discontinued
0.6474 Remote Similarity NPD6720 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5557 Phase 1
0.6458 Remote Similarity NPD5484 Approved
0.6458 Remote Similarity NPD5485 Approved
0.6452 Remote Similarity NPD8070 Approved
0.645 Remote Similarity NPD6359 Clinical (unspecified phase)
0.645 Remote Similarity NPD4125 Approved
0.6448 Remote Similarity NPD6677 Suspended
0.6447 Remote Similarity NPD6835 Approved
0.6447 Remote Similarity NPD4157 Discontinued
0.6446 Remote Similarity NPD4659 Approved
0.6444 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6432 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6432 Remote Similarity NPD6646 Discontinued
0.6429 Remote Similarity NPD3455 Phase 2
0.6429 Remote Similarity NPD258 Approved
0.6429 Remote Similarity NPD257 Approved
0.6429 Remote Similarity NPD3608 Clinical (unspecified phase)
0.6425 Remote Similarity NPD5614 Approved
0.6425 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6425 Remote Similarity NPD5613 Approved
0.6421 Remote Similarity NPD3451 Clinical (unspecified phase)
0.642 Remote Similarity NPD4256 Phase 2
0.642 Remote Similarity NPD4257 Approved
0.6416 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6413 Remote Similarity NPD7011 Discontinued
0.6412 Remote Similarity NPD5746 Approved
0.6411 Remote Similarity NPD3803 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11051314
ChEMBL   CHEMBL453427
ZINC  

Physicochemical Properties

Molecular Weight:  956.51
ALogP:  -5.639
MLogP:  4.65
XLogP:  5.586
# Rotatable Bonds:  31
Polar Surface Area:  334.95
# H-Bond Aceptor:  18
# H-Bond Donor:  12
# Rings:  4
# Heavy Atoms:  69

Download Data

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Biological Activities  
Similar NPs/Drugs