Natural Product: NPC329295

Natural Product ID:  NPC329295
Common Name:   n.a.
IUPAC Name:  
Synonyms:   Omega-Conotoxin Gvia
Molecular Formula:   C120H182N38O43S6
Standard InCHIKey:  FDQZTPPHJRQRQQ-NZPQQUJLSA-N
Standard InCHI:  InChI=1S/C120H182N38O43S6/c1-53(165)91-114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)49-204-207-52-84-110(193)153-80-48-203-202-47-64(123)94(177)135-65(9-3-5-25-121)97(180)147-78(45-163)117(200)156-38-61(170)32-85(156)111(194)133-37-90(175)134-74(41-159)102(185)145-76(43-161)105(188)152-83(109(192)148-79(46-164)118(201)158-40-63(172)34-87(158)113(196)155-92(54(2)166)115(198)146-77(44-162)103(186)140-70(30-56-15-21-59(168)22-16-56)99(182)141-72(35-88(124)173)100(183)150-84)51-206-205-50-82(151-104(187)75(42-160)144-96(179)67(137-106(80)189)11-7-27-131-119(127)128)108(191)143-73(36-89(125)174)116(199)157-39-62(171)33-86(157)112(195)142-71(101(184)154-91)31-57-17-23-60(169)24-18-57/h13-24,53-54,61-87,91-92,159-172H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)/t53-,54-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,91+,92+/m1/s1
Canonical SMILES:  NCCCC[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](Cc2ccc(cc2)O)N=C(O)[C@@H]2C[C@H](CN2C(=O)[C@H](CC(=N)O)N=C(O)[C@@H]2CSSC[C@@H]3N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)CN=C([C@H]4N(C(=O)[C@@H](N=C([C@@H](N=C([C@H](CSSC[C@H](N=C([C@H](CSSC[C@H](N=C([C@@H](N=C1O)CCCNC(=N)N)O)C(=N[C@H](C(=N)O)Cc1ccc(cc1)O)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](Cc1ccc(cc1)O)N=C(O)[C@H](CO)N=C(O)[C@@H](N=C([C@H]1N(C(=O)[C@@H](N=C3O)CO)C[C@@H](C1)O)O)[C@H](O)C)O)C(=N[C@@H](CCCNC(=N)N)C(=N[C@H](C(=N2)O)CO)O)O)N)O)CCCCN)O)CO)C[C@@H](C4)O)O)O)[C@H](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
NPO30291 Conus geographus Species Conidae Eukaryota PMID[7925595]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 0.045 nM 20875743
NPT6206 Individual Protein Voltage-gated N-type calcium channel alpha-1B subunit Homo sapiens IC50 = 20 nM 23098566
NPT6206 Individual Protein Voltage-gated N-type calcium channel alpha-1B subunit Homo sapiens IC50 = 40 nM 23098566
NPT2 Others Unspecified Ki = 0.028 nM 23403082
NPT2 Others Unspecified IC50 = 0.034 nM 23403082
NPT2 Others Unspecified Inhibition = 14 % 23403082

  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 NPC329295 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
0.9061 High Similarity NPC477638
0.9061 High Similarity NPC477632
0.8743 High Similarity NPC477631
0.8736 High Similarity NPC477636
0.8602 High Similarity NPC477639
0.8278 Intermediate Similarity NPC136797
0.8152 Intermediate Similarity NPC477637
0.8142 Intermediate Similarity NPC119652
0.8142 Intermediate Similarity NPC97526
0.8114 Intermediate Similarity NPC326349
0.8114 Intermediate Similarity NPC323336
0.8079 Intermediate Similarity NPC241794
0.8056 Intermediate Similarity NPC280022
0.8042 Intermediate Similarity NPC240130
0.8042 Intermediate Similarity NPC61332
0.8 Intermediate Similarity NPC302597
0.7978 Intermediate Similarity NPC17698
0.7967 Intermediate Similarity NPC328494
0.7966 Intermediate Similarity NPC244336
0.7937 Intermediate Similarity NPC94862
0.7923 Intermediate Similarity NPC475532
0.7903 Intermediate Similarity NPC153554
0.7901 Intermediate Similarity NPC328649
0.7886 Intermediate Similarity NPC56685
0.788 Intermediate Similarity NPC165285
0.7874 Intermediate Similarity NPC473491
0.7838 Intermediate Similarity NPC196243
0.7802 Intermediate Similarity NPC141957
0.7797 Intermediate Similarity NPC244509
0.7766 Intermediate Similarity NPC473404
0.776 Intermediate Similarity NPC60516
0.776 Intermediate Similarity NPC129486
0.7747 Intermediate Similarity NPC61004
0.7732 Intermediate Similarity NPC302715
0.7717 Intermediate Similarity NPC274198
0.7717 Intermediate Similarity NPC198254
0.7713 Intermediate Similarity NPC475409
0.7713 Intermediate Similarity NPC170302
0.7713 Intermediate Similarity NPC475564
0.7709 Intermediate Similarity NPC324850
0.7708 Intermediate Similarity NPC102959
0.7688 Intermediate Similarity NPC471165
0.7684 Intermediate Similarity NPC202198
0.7684 Intermediate Similarity NPC262166
0.7684 Intermediate Similarity NPC5194
0.7684 Intermediate Similarity NPC261934
0.7673 Intermediate Similarity NPC478005
0.7665 Intermediate Similarity NPC477552
0.7665 Intermediate Similarity NPC477550
0.7622 Intermediate Similarity NPC276506
0.7606 Intermediate Similarity NPC473546
0.7596 Intermediate Similarity NPC223207
0.7594 Intermediate Similarity NPC158277
0.7588 Intermediate Similarity NPC477551
0.7554 Intermediate Similarity NPC471771
0.7554 Intermediate Similarity NPC304074
0.7554 Intermediate Similarity NPC290755
0.7527 Intermediate Similarity NPC475123
0.7527 Intermediate Similarity NPC475204
0.7474 Intermediate Similarity NPC96275
0.746 Intermediate Similarity NPC50016
0.7457 Intermediate Similarity NPC214988
0.7447 Intermediate Similarity NPC137627
0.7433 Intermediate Similarity NPC40234
0.7432 Intermediate Similarity NPC469243
0.743 Intermediate Similarity NPC233702
0.7414 Intermediate Similarity NPC476989
0.7405 Intermediate Similarity NPC63931
0.7403 Intermediate Similarity NPC476268
0.7401 Intermediate Similarity NPC16188
0.7398 Intermediate Similarity NPC51047
0.7394 Intermediate Similarity NPC89831
0.7394 Intermediate Similarity NPC230611
0.7382 Intermediate Similarity NPC45037
0.7358 Intermediate Similarity NPC478007
0.7354 Intermediate Similarity NPC306804
0.734 Intermediate Similarity NPC46009
0.7337 Intermediate Similarity NPC475544
0.7316 Intermediate Similarity NPC26108
0.7316 Intermediate Similarity NPC473402
0.729 Intermediate Similarity NPC478008
0.7263 Intermediate Similarity NPC248670
0.7263 Intermediate Similarity NPC273755
0.7259 Intermediate Similarity NPC246591
0.725 Intermediate Similarity NPC80514
0.7234 Intermediate Similarity NPC107938
0.7234 Intermediate Similarity NPC294516
0.7225 Intermediate Similarity NPC155506
0.7225 Intermediate Similarity NPC159767
0.7225 Intermediate Similarity NPC469445
0.7225 Intermediate Similarity NPC267237
0.7213 Intermediate Similarity NPC473580
0.7202 Intermediate Similarity NPC269750
0.7202 Intermediate Similarity NPC194671
0.7198 Intermediate Similarity NPC220060
0.7186 Intermediate Similarity NPC470728
0.7179 Intermediate Similarity NPC471526
0.7175 Intermediate Similarity NPC168861
0.7163 Intermediate Similarity NPC469444
0.7157 Intermediate Similarity NPC469443
0.7135 Intermediate Similarity NPC476227
0.7135 Intermediate Similarity NPC279871
0.709 Intermediate Similarity NPC254700
0.7069 Intermediate Similarity NPC287401
0.7056 Intermediate Similarity NPC294951
0.705 Intermediate Similarity NPC163961
0.705 Intermediate Similarity NPC473305
0.7047 Intermediate Similarity NPC473354
0.7041 Intermediate Similarity NPC476321
0.702 Intermediate Similarity NPC299806
0.701 Intermediate Similarity NPC471592
0.6966 Remote Similarity NPC48202
0.6963 Remote Similarity NPC209463
0.6947 Remote Similarity NPC472923
0.6946 Remote Similarity NPC65714
0.6932 Remote Similarity NPC141050
0.6931 Remote Similarity NPC473407
0.6931 Remote Similarity NPC473378
0.6927 Remote Similarity NPC66490
0.6923 Remote Similarity NPC311658
0.6919 Remote Similarity NPC167763
0.6919 Remote Similarity NPC470112
0.6919 Remote Similarity NPC470903
0.6915 Remote Similarity NPC469898
0.691 Remote Similarity NPC242159
0.691 Remote Similarity NPC313694
0.6904 Remote Similarity NPC472999
0.69 Remote Similarity NPC276120
0.6897 Remote Similarity NPC477635
0.6897 Remote Similarity NPC477630
0.6884 Remote Similarity NPC471050
0.6884 Remote Similarity NPC471048
0.6884 Remote Similarity NPC471049
0.6878 Remote Similarity NPC114806
0.6878 Remote Similarity NPC473371
0.6875 Remote Similarity NPC63040
0.6867 Remote Similarity NPC477633
0.6865 Remote Similarity NPC300443
0.6863 Remote Similarity NPC328763
0.6851 Remote Similarity NPC326241
0.6837 Remote Similarity NPC25539
0.6827 Remote Similarity NPC473450
0.6825 Remote Similarity NPC1390
0.6825 Remote Similarity NPC24617
0.6825 Remote Similarity NPC62104
0.6825 Remote Similarity NPC246303
0.6823 Remote Similarity NPC15068
0.6811 Remote Similarity NPC475168
0.6811 Remote Similarity NPC7817
0.6806 Remote Similarity NPC133470
0.6806 Remote Similarity NPC191863
0.6806 Remote Similarity NPC289776
0.6792 Remote Similarity NPC219350
0.6792 Remote Similarity NPC194699
0.6789 Remote Similarity NPC469901
0.6789 Remote Similarity NPC473003
0.6786 Remote Similarity NPC477462
0.6777 Remote Similarity NPC81845
0.6776 Remote Similarity NPC81026
0.6776 Remote Similarity NPC295795
0.6771 Remote Similarity NPC5719
0.6771 Remote Similarity NPC217804
0.6771 Remote Similarity NPC210377
0.6771 Remote Similarity NPC22883
0.6768 Remote Similarity NPC475421
0.6766 Remote Similarity NPC138083
0.676 Remote Similarity NPC64205
0.6754 Remote Similarity NPC73655
0.6753 Remote Similarity NPC473000
0.6751 Remote Similarity NPC469900
0.6744 Remote Similarity NPC277306
0.6744 Remote Similarity NPC469442
0.6731 Remote Similarity NPC323662
0.6726 Remote Similarity NPC328924
0.6721 Remote Similarity NPC266741
0.6717 Remote Similarity NPC473001
0.6702 Remote Similarity NPC470902
0.67 Remote Similarity NPC4910
0.6686 Remote Similarity NPC319766
0.6685 Remote Similarity NPC314358
0.6667 Remote Similarity NPC59827
0.6667 Remote Similarity NPC255447
0.6667 Remote Similarity NPC315283
0.6667 Remote Similarity NPC130309
0.6667 Remote Similarity NPC469903
0.6667 Remote Similarity NPC184933
0.6667 Remote Similarity NPC314388
0.665 Remote Similarity NPC32064
0.6649 Remote Similarity NPC287757
0.6649 Remote Similarity NPC319320
0.6648 Remote Similarity NPC197921
0.6634 Remote Similarity NPC283207
0.6633 Remote Similarity NPC471568
0.6633 Remote Similarity NPC473693
0.663 Remote Similarity NPC315266
0.663 Remote Similarity NPC313867
0.663 Remote Similarity NPC316008
0.6629 Remote Similarity NPC326966
0.6624 Remote Similarity NPC153400
0.6622 Remote Similarity NPC323244

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC329295 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
0.7845 Intermediate Similarity NPD8303 Discontinued
0.7809 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD8019 Approved
0.7333 Intermediate Similarity NPD7303 Discontinued
0.7293 Intermediate Similarity NPD7523 Phase 3
0.7273 Intermediate Similarity NPD7978 Discontinued
0.7222 Intermediate Similarity NPD7617 Discontinued
0.7189 Intermediate Similarity NPD7495 Discontinued
0.7158 Intermediate Similarity NPD4652 Approved
0.7135 Intermediate Similarity NPD5200 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7066 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD5137 Approved
0.6983 Remote Similarity NPD6809 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6947 Remote Similarity NPD2098 Approved
0.6927 Remote Similarity NPD7450 Phase 2
0.6889 Remote Similarity NPD8076 Discontinued
0.6882 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6872 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6872 Remote Similarity NPD6866 Clinical (unspecified phase)
0.6853 Remote Similarity NPD7695 Clinical (unspecified phase)
0.6842 Remote Similarity NPD2097 Approved
0.6811 Remote Similarity NPD5348 Clinical (unspecified phase)
0.6793 Remote Similarity NPD8290 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6188 Approved
0.6682 Remote Similarity NPD6189 Approved
0.6667 Remote Similarity NPD7485 Phase 3
0.6667 Remote Similarity NPD5341 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7484 Phase 3
0.6667 Remote Similarity NPD4782 Clinical (unspecified phase)
0.6648 Remote Similarity NPD4791 Clinical (unspecified phase)
0.6636 Remote Similarity NPD6187 Approved
0.6635 Remote Similarity NPD6256 Approved
0.6635 Remote Similarity NPD6255 Approved
0.6635 Remote Similarity NPD6254 Approved
0.663 Remote Similarity NPD6901 Phase 3
0.6622 Remote Similarity NPD8292 Phase 2
0.6618 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6596 Remote Similarity NPD7613 Discontinued
0.6591 Remote Similarity NPD7451 Discontinued
0.6588 Remote Similarity NPD6253 Approved
0.6582 Remote Similarity NPD2889 Approved
0.6582 Remote Similarity NPD2888 Approved
0.6582 Remote Similarity NPD2017 Approved
0.6582 Remote Similarity NPD2890 Approved
0.6578 Remote Similarity NPD7892 Clinical (unspecified phase)
0.6575 Remote Similarity NPD8173 Phase 2
0.6575 Remote Similarity NPD8172 Phase 2
0.6573 Remote Similarity NPD3136 Phase 2
0.6526 Remote Similarity NPD8163 Clinical (unspecified phase)
0.6526 Remote Similarity NPD8162 Phase 2
0.652 Remote Similarity NPD6557 Phase 2
0.6513 Remote Similarity NPD8031 Discontinued
0.6489 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6484 Remote Similarity NPD2568 Approved
0.6474 Remote Similarity NPD7131 Phase 3
0.6457 Remote Similarity NPD2561 Approved
0.6457 Remote Similarity NPD2562 Approved
0.6452 Remote Similarity NPD6860 Clinical (unspecified phase)
0.6448 Remote Similarity NPD3552 Approved
0.6448 Remote Similarity NPD3555 Approved
0.6448 Remote Similarity NPD3553 Approved
0.6448 Remote Similarity NPD3554 Approved
0.6444 Remote Similarity NPD3632 Clinical (unspecified phase)
0.6439 Remote Similarity NPD5946 Clinical (unspecified phase)
0.6417 Remote Similarity NPD6676 Phase 2
0.6413 Remote Similarity NPD7728 Clinical (unspecified phase)
0.6409 Remote Similarity NPD5729 Clinical (unspecified phase)
0.64 Remote Similarity NPD6796 Discontinued
0.6359 Remote Similarity NPD4567 Approved
0.6359 Remote Similarity NPD4566 Approved
0.6327 Remote Similarity NPD7494 Clinical (unspecified phase)
0.6321 Remote Similarity NPD3659 Discontinued
0.6313 Remote Similarity NPD5339 Clinical (unspecified phase)
0.6308 Remote Similarity NPD7811 Phase 3
0.6308 Remote Similarity NPD7810 Phase 3
0.6304 Remote Similarity NPD5314 Approved
0.63 Remote Similarity NPD7608 Discontinued
0.6281 Remote Similarity NPD7133 Discontinued
0.628 Remote Similarity NPD6237 Clinical (unspecified phase)
0.6256 Remote Similarity NPD8022 Clinical (unspecified phase)
0.625 Remote Similarity NPD7113 Clinical (unspecified phase)
0.6244 Remote Similarity NPD3803 Clinical (unspecified phase)
0.6244 Remote Similarity NPD7738 Approved
0.6244 Remote Similarity NPD7737 Approved
0.6225 Remote Similarity NPD42 Phase 2
0.6225 Remote Similarity NPD6042 Phase 2
0.6224 Remote Similarity NPD7011 Discontinued
0.6211 Remote Similarity NPD8323 Discontinued
0.6196 Remote Similarity NPD3062 Approved
0.6196 Remote Similarity NPD3061 Approved
0.6196 Remote Similarity NPD5323 Approved
0.6196 Remote Similarity NPD3059 Approved
0.6195 Remote Similarity NPD5484 Approved
0.6195 Remote Similarity NPD5485 Approved
0.6195 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6193 Remote Similarity NPD4557 Approved
0.6193 Remote Similarity NPD5152 Clinical (unspecified phase)
0.6188 Remote Similarity NPD3879 Approved
0.6186 Remote Similarity NPD7836 Clinical (unspecified phase)
0.6186 Remote Similarity NPD8315 Phase 1
0.6184 Remote Similarity NPD7883 Discontinued
0.6182 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6181 Remote Similarity NPD5219 Approved
0.6181 Remote Similarity NPD5218 Approved
0.6175 Remote Similarity NPD1330 Phase 2
0.6175 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6167 Remote Similarity NPD2585 Clinical (unspecified phase)
0.6167 Remote Similarity NPD4103 Phase 2
0.6167 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6162 Remote Similarity NPD4757 Clinical (unspecified phase)
0.6162 Remote Similarity NPD5967 Approved
0.6158 Remote Similarity NPD8124 Phase 3
0.6158 Remote Similarity NPD3400 Discontinued
0.6158 Remote Similarity NPD8126 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6146 Remote Similarity NPD3987 Approved
0.6146 Remote Similarity NPD3988 Approved
0.6146 Remote Similarity NPD5613 Approved
0.6146 Remote Similarity NPD5614 Approved
0.6145 Remote Similarity NPD4659 Approved
0.6143 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6143 Remote Similarity NPD3878 Approved
0.6142 Remote Similarity NPD4227 Discontinued
0.6141 Remote Similarity NPD6405 Approved
0.6141 Remote Similarity NPD6407 Approved
0.6132 Remote Similarity NPD5076 Approved
0.6132 Remote Similarity NPD6504 Approved
0.6132 Remote Similarity NPD5077 Approved
0.6132 Remote Similarity NPD6505 Approved
0.6124 Remote Similarity NPD6851 Approved
0.6124 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6124 Remote Similarity NPD6853 Approved
0.6114 Remote Similarity NPD4157 Discontinued
0.6114 Remote Similarity NPD856 Approved
0.6114 Remote Similarity NPD6419 Discontinued
0.6114 Remote Similarity NPD4435 Approved
0.6114 Remote Similarity NPD2874 Phase 2
0.6114 Remote Similarity NPD318 Approved
0.6114 Remote Similarity NPD16 Approved
0.6114 Remote Similarity NPD317 Approved
0.6111 Remote Similarity NPD5772 Approved
0.6111 Remote Similarity NPD5773 Approved
0.6111 Remote Similarity NPD4514 Approved
0.6108 Remote Similarity NPD8416 Discontinued
0.6105 Remote Similarity NPD5264 Approved
0.6105 Remote Similarity NPD5265 Approved
0.6103 Remote Similarity NPD5165 Clinical (unspecified phase)
0.61 Remote Similarity NPD8070 Approved
0.61 Remote Similarity NPD4521 Clinical (unspecified phase)
0.6096 Remote Similarity NPD4126 Approved
0.6094 Remote Similarity NPD7554 Discontinued
0.6091 Remote Similarity NPD7749 Clinical (unspecified phase)
0.6087 Remote Similarity NPD597 Approved
0.6087 Remote Similarity NPD5299 Approved
0.6087 Remote Similarity NPD601 Approved
0.6087 Remote Similarity NPD6297 Approved
0.6087 Remote Similarity NPD598 Approved
0.6085 Remote Similarity NPD2088 Approved
0.6085 Remote Similarity NPD2087 Approved
0.608 Remote Similarity NPD7080 Clinical (unspecified phase)
0.608 Remote Similarity NPD316 Approved
0.6075 Remote Similarity NPD8643 Discontinued
0.6066 Remote Similarity NPD4434 Approved
0.6065 Remote Similarity NPD7282 Approved
0.6058 Remote Similarity NPD2852 Approved
0.6056 Remote Similarity NPD8240 Discontinued
0.6054 Remote Similarity NPD1136 Approved
0.6054 Remote Similarity NPD1132 Approved
0.6054 Remote Similarity NPD1130 Approved
0.6053 Remote Similarity NPD6681 Discovery
0.6044 Remote Similarity NPD599 Approved
0.6044 Remote Similarity NPD602 Approved
0.6043 Remote Similarity NPD3054 Approved
0.6043 Remote Similarity NPD3052 Approved
0.6042 Remote Similarity NPD7910 Clinical (unspecified phase)
0.604 Remote Similarity NPD6767 Clinical (unspecified phase)
0.6038 Remote Similarity NPD5851 Approved
0.6038 Remote Similarity NPD5852 Approved
0.6032 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6031 Remote Similarity NPD7020 Approved
0.6031 Remote Similarity NPD7019 Approved
0.6031 Remote Similarity NPD3985 Discontinued
0.6029 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6027 Remote Similarity NPD2853 Approved
0.6026 Remote Similarity NPD8318 Clinical (unspecified phase)
0.6023 Remote Similarity NPD9613 Approved
0.6023 Remote Similarity NPD9615 Approved
0.6023 Remote Similarity NPD9616 Approved
0.6022 Remote Similarity NPD6346 Approved
0.6022 Remote Similarity NPD5367 Discontinued
0.6021 Remote Similarity NPD2460 Phase 3
0.6021 Remote Similarity NPD2459 Approved
0.6021 Remote Similarity NPD2458 Approved
0.6021 Remote Similarity NPD3638 Discontinued
0.6019 Remote Similarity NPD6967 Phase 2
0.601 Remote Similarity NPD6879 Phase 2
0.601 Remote Similarity NPD5445 Approved
0.601 Remote Similarity NPD6303 Approved
0.601 Remote Similarity NPD6304 Approved

Structure

External Identifiers

PubChem CID   16133838
ChEMBL   CHEMBL1651027
ZINC  

Physicochemical Properties

Molecular Weight:  3035.15
ALogP:  -17.8179
MLogP:  5.09
XLogP:  -8.441
# Rotatable Bonds:  86
Polar Surface Area:  1579.62
# H-Bond Aceptor:  78
# H-Bond Donor:  52
# Rings:  9
# Heavy Atoms:  207

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