Natural Product: NPC98038

Natural Product ID:  NPC98038
Common Name:   Verrucarin A
IUPAC Name:  
Synonyms:   Verrucarin A
Molecular Formula:   C27H34O9
Standard InCHIKey:  NLUGUZJQJYVUHS-IDXDZYHTSA-N
Standard InCHI:  InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1
Canonical SMILES:  O=C1/C=CC=CC(=O)OCC[C@H]([C@@H](C(=O)OC[C@]23[C@]4([C@H](O1)C[C@H]([C@]14CO1)O[C@@H]3C=C(CC2)C)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
NPO30443 Myrothecium verrucaria Species Stachybotryaceae Eukaryota PMID[13678412]
NPO29965 Myrothecium roridum Species Stachybotryaceae Eukaryota Palau PMID[11277768]
NPO30443 Myrothecium verrucaria Species Stachybotryaceae Eukaryota PMID[10075777]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus LD50 = 0.5 mg/kg 11720540
NPT407 Cell Line COLO 205 Homo sapiens IC50 < 1 nM 21705225
NPT393 Cell Line HCT-116 Homo sapiens IC50 > 10000 nM 23639538
NPT405 Cell Line NCI-H226 Homo sapiens IC50 = 4 nM 23639538
NPT455 Cell Line NCI-H522 Homo sapiens IC50 < 1 nM 23806014
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 = 8 nM 23806014
NPT398 Cell Line UACC-62 Homo sapiens IC50 = 5 nM 23806014
NPT148 Cell Line HCT-15 Homo sapiens IC50 = 8100 nM 23806014
NPT387 Cell Line M14 Homo sapiens IC50 < 1 nM 23806014
NPT376 Cell Line A498 Homo sapiens IC50 = 3 nM 19729316
NPT406 Cell Line RXF 393 Homo sapiens IC50 > 10000 nM 19729316
NPT189 Cell Line Vero Chlorocebus aethiops EC50 = 0.0011 ug/ml 10096858
NPT2 Others Unspecified EC50 = 0.0042 ug/ml 9917310
NPT32 Organism Mus musculus Mus musculus Activity = 1.5 9784156
NPT858 Cell Line LNCaP Homo sapiens IC50 = 3.3 nM 15217276
NPT2 Others Unspecified Activity = 2.104 17850214
NPT83 Cell Line MCF7 Homo sapiens IC50 = 1200 nM 19943624
NPT116 Cell Line HL-60 Homo sapiens IC50 = 0.0002 ug/ml 8691213
NPT137 Cell Line L1210 Mus musculus IC50 = 0.00035 ug/ml 8691213
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 EC50 = 0.0009 ug/ml 21333535
NPT2 Others Unspecified IC50 = 2.9 10'-10 uM 21090801
NPT367 Cell Line MDA-N Homo sapiens IC50 = 82 nM 25405587
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 = 4 nM 12444689
NPT116 Cell Line HL-60 Homo sapiens IC50 > 10000 nM 10514307
NPT404 Cell Line CCRF-CEM Homo sapiens IC50 > 10000 nM 10514307
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 10514307
NPT112 Cell Line MOLT-4 Homo sapiens IC50 > 10000 nM 10514307
NPT2 Others Unspecified Activity = 127 % 17249727
NPT91 Cell Line KB Homo sapiens EC50 = 0.0012 ug/ml 18293903

  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 NPC98038 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 NPC313921
0.9904 High Similarity NPC101400
0.9904 High Similarity NPC101965
0.9439 High Similarity NPC265290
0.9439 High Similarity NPC305044
0.9231 High Similarity NPC93026
0.9231 High Similarity NPC265502
0.9231 High Similarity NPC29389
0.9231 High Similarity NPC469960
0.9143 High Similarity NPC469959
0.9143 High Similarity NPC469957
0.9143 High Similarity NPC108682
0.9143 High Similarity NPC472263
0.8942 High Similarity NPC214714
0.8942 High Similarity NPC252242
0.8942 High Similarity NPC475956
0.8942 High Similarity NPC200672
0.8932 High Similarity NPC79631
0.8889 High Similarity NPC41551
0.8889 High Similarity NPC50223
0.8857 High Similarity NPC260809
0.8857 High Similarity NPC474783
0.8846 High Similarity NPC26557
0.8839 High Similarity NPC475130
0.8839 High Similarity NPC474286
0.875 High Similarity NPC98813
0.875 High Similarity NPC13743
0.8679 High Similarity NPC232515
0.8654 High Similarity NPC79449
0.8654 High Similarity NPC65700
0.8654 High Similarity NPC474957
0.8649 High Similarity NPC287075
0.8585 High Similarity NPC475986
0.8558 High Similarity NPC347923
0.8558 High Similarity NPC476057
0.8544 High Similarity NPC240838
0.8476 Intermediate Similarity NPC274458
0.8468 Intermediate Similarity NPC71680
0.8455 Intermediate Similarity NPC77089
0.8426 Intermediate Similarity NPC169843
0.8393 Intermediate Similarity NPC241477
0.8381 Intermediate Similarity NPC182811
0.8378 Intermediate Similarity NPC15551
0.8333 Intermediate Similarity NPC123505
0.8208 Intermediate Similarity NPC120299
0.819 Intermediate Similarity NPC475401
0.8158 Intermediate Similarity NPC469463
0.8158 Intermediate Similarity NPC469454
0.8158 Intermediate Similarity NPC469496
0.8131 Intermediate Similarity NPC475653
0.812 Intermediate Similarity NPC477092
0.8113 Intermediate Similarity NPC255410
0.8108 Intermediate Similarity NPC470192
0.8103 Intermediate Similarity NPC475305
0.8073 Intermediate Similarity NPC473596
0.8051 Intermediate Similarity NPC79579
0.8034 Intermediate Similarity NPC13710
0.8019 Intermediate Similarity NPC300710
0.7982 Intermediate Similarity NPC179798
0.7982 Intermediate Similarity NPC304180
0.7966 Intermediate Similarity NPC270850
0.7966 Intermediate Similarity NPC5292
0.7966 Intermediate Similarity NPC278681
0.7966 Intermediate Similarity NPC305260
0.7931 Intermediate Similarity NPC216665
0.7931 Intermediate Similarity NPC178289
0.7899 Intermediate Similarity NPC112936
0.7895 Intermediate Similarity NPC5103
0.7895 Intermediate Similarity NPC181298
0.789 Intermediate Similarity NPC475053
0.7881 Intermediate Similarity NPC16701
0.7881 Intermediate Similarity NPC153440
0.7857 Intermediate Similarity NPC471234
0.7857 Intermediate Similarity NPC470980
0.7851 Intermediate Similarity NPC6193
0.7845 Intermediate Similarity NPC56448
0.7833 Intermediate Similarity NPC473228
0.7833 Intermediate Similarity NPC470829
0.7833 Intermediate Similarity NPC312481
0.7826 Intermediate Similarity NPC475495
0.7826 Intermediate Similarity NPC474750
0.7823 Intermediate Similarity NPC470880
0.7815 Intermediate Similarity NPC213761
0.7815 Intermediate Similarity NPC35171
0.781 Intermediate Similarity NPC197107
0.7807 Intermediate Similarity NPC475274
0.7798 Intermediate Similarity NPC222303
0.7797 Intermediate Similarity NPC23046
0.7797 Intermediate Similarity NPC157380
0.7797 Intermediate Similarity NPC185287
0.7788 Intermediate Similarity NPC474421
0.7788 Intermediate Similarity NPC326994
0.7788 Intermediate Similarity NPC324327
0.7788 Intermediate Similarity NPC72813
0.7788 Intermediate Similarity NPC194620
0.7778 Intermediate Similarity NPC43213
0.7769 Intermediate Similarity NPC107493
0.7769 Intermediate Similarity NPC471082
0.7768 Intermediate Similarity NPC472748
0.776 Intermediate Similarity NPC213634
0.7759 Intermediate Similarity NPC317687
0.7759 Intermediate Similarity NPC473522
0.7759 Intermediate Similarity NPC477093
0.7759 Intermediate Similarity NPC475277
0.775 Intermediate Similarity NPC474585
0.775 Intermediate Similarity NPC472004
0.7724 Intermediate Similarity NPC159499
0.7719 Intermediate Similarity NPC14862
0.7719 Intermediate Similarity NPC472825
0.7719 Intermediate Similarity NPC55972
0.7719 Intermediate Similarity NPC327286
0.7719 Intermediate Similarity NPC233379
0.7719 Intermediate Similarity NPC169888
0.7719 Intermediate Similarity NPC474664
0.7712 Intermediate Similarity NPC190286
0.7712 Intermediate Similarity NPC148458
0.7699 Intermediate Similarity NPC472749
0.7699 Intermediate Similarity NPC16313
0.7699 Intermediate Similarity NPC54737
0.7699 Intermediate Similarity NPC9303
0.7699 Intermediate Similarity NPC472751
0.7699 Intermediate Similarity NPC477125
0.7698 Intermediate Similarity NPC155529
0.7698 Intermediate Similarity NPC471855
0.7686 Intermediate Similarity NPC46570
0.7686 Intermediate Similarity NPC472000
0.7686 Intermediate Similarity NPC310511
0.7686 Intermediate Similarity NPC471999
0.768 Intermediate Similarity NPC471407
0.7679 Intermediate Similarity NPC4620
0.7679 Intermediate Similarity NPC183570
0.7679 Intermediate Similarity NPC472747
0.7679 Intermediate Similarity NPC472750
0.7672 Intermediate Similarity NPC317107
0.7667 Intermediate Similarity NPC19028
0.7667 Intermediate Similarity NPC9674
0.7667 Intermediate Similarity NPC472667
0.7661 Intermediate Similarity NPC473253
0.7661 Intermediate Similarity NPC473265
0.7658 Intermediate Similarity NPC146822
0.7656 Intermediate Similarity NPC158350
0.7652 Intermediate Similarity NPC187876
0.7652 Intermediate Similarity NPC139838
0.7652 Intermediate Similarity NPC59489
0.7652 Intermediate Similarity NPC15218
0.7647 Intermediate Similarity NPC239273
0.7636 Intermediate Similarity NPC161855
0.7627 Intermediate Similarity NPC106446
0.7623 Intermediate Similarity NPC23786
0.7623 Intermediate Similarity NPC470265
0.7615 Intermediate Similarity NPC57664
0.7611 Intermediate Similarity NPC220964
0.7611 Intermediate Similarity NPC475676
0.7611 Intermediate Similarity NPC472822
0.7607 Intermediate Similarity NPC236217
0.7607 Intermediate Similarity NPC221144
0.7607 Intermediate Similarity NPC126691
0.7607 Intermediate Similarity NPC100267
0.7607 Intermediate Similarity NPC475524
0.76 Intermediate Similarity NPC236999
0.7593 Intermediate Similarity NPC469491
0.7593 Intermediate Similarity NPC281775
0.7589 Intermediate Similarity NPC470972
0.7589 Intermediate Similarity NPC78127
0.7589 Intermediate Similarity NPC49393
0.7589 Intermediate Similarity NPC66110
0.7589 Intermediate Similarity NPC472754
0.7589 Intermediate Similarity NPC471757
0.7586 Intermediate Similarity NPC206595
0.7583 Intermediate Similarity NPC257457
0.7583 Intermediate Similarity NPC311554
0.7565 Intermediate Similarity NPC10150
0.7565 Intermediate Similarity NPC88701
0.7561 Intermediate Similarity NPC469789
0.7545 Intermediate Similarity NPC205143
0.7545 Intermediate Similarity NPC40812
0.7544 Intermediate Similarity NPC475290
0.7544 Intermediate Similarity NPC82251
0.7544 Intermediate Similarity NPC475802
0.7542 Intermediate Similarity NPC171126
0.7542 Intermediate Similarity NPC106395
0.7542 Intermediate Similarity NPC46269
0.7542 Intermediate Similarity NPC194100
0.7541 Intermediate Similarity NPC472001
0.7541 Intermediate Similarity NPC67569
0.754 Intermediate Similarity NPC221414
0.754 Intermediate Similarity NPC104382
0.7523 Intermediate Similarity NPC272050
0.7522 Intermediate Similarity NPC23584
0.7522 Intermediate Similarity NPC474775
0.7522 Intermediate Similarity NPC280566
0.7522 Intermediate Similarity NPC472755
0.7521 Intermediate Similarity NPC470076
0.7521 Intermediate Similarity NPC219656
0.7521 Intermediate Similarity NPC473203
0.7521 Intermediate Similarity NPC476529
0.7521 Intermediate Similarity NPC475775
0.752 Intermediate Similarity NPC287423
0.752 Intermediate Similarity NPC470882
0.75 Intermediate Similarity NPC62670

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC98038 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
0.781 Intermediate Similarity NPD7838 Discovery
0.7686 Intermediate Similarity NPD7503 Approved
0.7642 Intermediate Similarity NPD6698 Approved
0.7642 Intermediate Similarity NPD46 Approved
0.7603 Intermediate Similarity NPD6319 Approved
0.7478 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD8297 Approved
0.7414 Intermediate Similarity NPD6686 Approved
0.7395 Intermediate Similarity NPD4632 Approved
0.7321 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD7638 Approved
0.7311 Intermediate Similarity NPD6053 Discontinued
0.7302 Intermediate Similarity NPD7507 Approved
0.7288 Intermediate Similarity NPD6371 Approved
0.7265 Intermediate Similarity NPD6899 Approved
0.7265 Intermediate Similarity NPD6881 Approved
0.7257 Intermediate Similarity NPD7639 Approved
0.7257 Intermediate Similarity NPD7640 Approved
0.7227 Intermediate Similarity NPD6650 Approved
0.7227 Intermediate Similarity NPD6649 Approved
0.7222 Intermediate Similarity NPD7492 Approved
0.7213 Intermediate Similarity NPD7115 Discovery
0.7179 Intermediate Similarity NPD6412 Phase 2
0.7179 Intermediate Similarity NPD5697 Approved
0.7177 Intermediate Similarity NPD6054 Approved
0.7167 Intermediate Similarity NPD6882 Approved
0.7165 Intermediate Similarity NPD6616 Approved
0.7154 Intermediate Similarity NPD7260 Phase 2
0.7154 Intermediate Similarity NPD7328 Approved
0.7154 Intermediate Similarity NPD7327 Approved
0.7143 Intermediate Similarity NPD7102 Approved
0.7143 Intermediate Similarity NPD6883 Approved
0.7143 Intermediate Similarity NPD7604 Phase 2
0.7143 Intermediate Similarity NPD7290 Approved
0.7132 Intermediate Similarity NPD7319 Approved
0.712 Intermediate Similarity NPD8033 Approved
0.7109 Intermediate Similarity NPD7078 Approved
0.7097 Intermediate Similarity NPD7516 Approved
0.7094 Intermediate Similarity NPD6675 Approved
0.7094 Intermediate Similarity NPD6402 Approved
0.7094 Intermediate Similarity NPD5739 Approved
0.7094 Intermediate Similarity NPD7128 Approved
0.7083 Intermediate Similarity NPD8130 Phase 1
0.7083 Intermediate Similarity NPD6847 Approved
0.7083 Intermediate Similarity NPD6617 Approved
0.7083 Intermediate Similarity NPD6869 Approved
0.708 Intermediate Similarity NPD6084 Phase 2
0.708 Intermediate Similarity NPD6083 Phase 2
0.7073 Intermediate Similarity NPD6009 Approved
0.7063 Intermediate Similarity NPD6370 Approved
0.7059 Intermediate Similarity NPD6014 Approved
0.7059 Intermediate Similarity NPD6373 Approved
0.7059 Intermediate Similarity NPD6372 Approved
0.7059 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6013 Approved
0.7059 Intermediate Similarity NPD6012 Approved
0.7054 Intermediate Similarity NPD7736 Approved
0.7043 Intermediate Similarity NPD5344 Discontinued
0.704 Intermediate Similarity NPD8294 Approved
0.704 Intermediate Similarity NPD8377 Approved
0.7 Intermediate Similarity NPD4634 Approved
0.6984 Remote Similarity NPD6015 Approved
0.6984 Remote Similarity NPD8335 Approved
0.6984 Remote Similarity NPD6016 Approved
0.6984 Remote Similarity NPD8378 Approved
0.6984 Remote Similarity NPD5983 Phase 2
0.6984 Remote Similarity NPD8296 Approved
0.6984 Remote Similarity NPD8380 Approved
0.6984 Remote Similarity NPD8379 Approved
0.6975 Remote Similarity NPD6011 Approved
0.6975 Remote Similarity NPD7320 Approved
0.6957 Remote Similarity NPD6648 Approved
0.6942 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6937 Remote Similarity NPD7983 Approved
0.6929 Remote Similarity NPD5988 Approved
0.6905 Remote Similarity NPD6059 Approved
0.6903 Remote Similarity NPD5695 Phase 3
0.6899 Remote Similarity NPD6336 Discontinued
0.6891 Remote Similarity NPD5701 Approved
0.6881 Remote Similarity NPD4250 Approved
0.6881 Remote Similarity NPD4251 Approved
0.686 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4820 Approved
0.6857 Remote Similarity NPD4819 Approved
0.6857 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4822 Approved
0.6857 Remote Similarity NPD4821 Approved
0.685 Remote Similarity NPD8517 Approved
0.685 Remote Similarity NPD8516 Approved
0.685 Remote Similarity NPD8515 Approved
0.685 Remote Similarity NPD8513 Phase 3
0.6847 Remote Similarity NPD5785 Approved
0.6846 Remote Similarity NPD8293 Discontinued
0.6838 Remote Similarity NPD5211 Phase 2
0.681 Remote Similarity NPD5286 Approved
0.681 Remote Similarity NPD5285 Approved
0.681 Remote Similarity NPD4696 Approved
0.6789 Remote Similarity NPD4249 Approved
0.6786 Remote Similarity NPD7637 Suspended
0.6729 Remote Similarity NPD6435 Approved
0.6726 Remote Similarity NPD5779 Approved
0.6726 Remote Similarity NPD5778 Approved
0.6724 Remote Similarity NPD5696 Approved
0.6724 Remote Similarity NPD4225 Approved
0.6723 Remote Similarity NPD5141 Approved
0.6716 Remote Similarity NPD6845 Suspended
0.6695 Remote Similarity NPD5225 Approved
0.6695 Remote Similarity NPD5224 Approved
0.6695 Remote Similarity NPD5226 Approved
0.6695 Remote Similarity NPD4633 Approved
0.6695 Remote Similarity NPD7632 Discontinued
0.6694 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6693 Remote Similarity NPD7100 Approved
0.6693 Remote Similarity NPD7101 Approved
0.6667 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD4271 Approved
0.6667 Remote Similarity NPD4268 Approved
0.6642 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6639 Remote Similarity NPD5174 Approved
0.6639 Remote Similarity NPD5175 Approved
0.6638 Remote Similarity NPD4755 Approved
0.6637 Remote Similarity NPD5693 Phase 1
0.6637 Remote Similarity NPD6411 Approved
0.6637 Remote Similarity NPD5694 Approved
0.6637 Remote Similarity NPD5281 Approved
0.6637 Remote Similarity NPD5284 Approved
0.6637 Remote Similarity NPD6050 Approved
0.6615 Remote Similarity NPD7829 Approved
0.6615 Remote Similarity NPD7830 Approved
0.6614 Remote Similarity NPD6335 Approved
0.6612 Remote Similarity NPD5954 Clinical (unspecified phase)
0.661 Remote Similarity NPD5223 Approved
0.6609 Remote Similarity NPD5210 Approved
0.6609 Remote Similarity NPD4629 Approved
0.6607 Remote Similarity NPD4753 Phase 2
0.6591 Remote Similarity NPD8074 Phase 3
0.6587 Remote Similarity NPD6274 Approved
0.6577 Remote Similarity NPD7524 Approved
0.6574 Remote Similarity NPD5209 Approved
0.656 Remote Similarity NPD8133 Approved
0.6557 Remote Similarity NPD4729 Approved
0.6557 Remote Similarity NPD4730 Approved
0.6549 Remote Similarity NPD5692 Phase 3
0.6545 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6542 Remote Similarity NPD5368 Approved
0.6535 Remote Similarity NPD6317 Approved
0.6525 Remote Similarity NPD4700 Approved
0.6522 Remote Similarity NPD5282 Discontinued
0.6489 Remote Similarity NPD8328 Phase 3
0.6486 Remote Similarity NPD7334 Approved
0.6486 Remote Similarity NPD5330 Approved
0.6486 Remote Similarity NPD7146 Approved
0.6486 Remote Similarity NPD7521 Approved
0.6486 Remote Similarity NPD6684 Approved
0.6486 Remote Similarity NPD6409 Approved
0.6484 Remote Similarity NPD6313 Approved
0.6484 Remote Similarity NPD6314 Approved
0.6466 Remote Similarity NPD1698 Clinical (unspecified phase)
0.646 Remote Similarity NPD6101 Approved
0.646 Remote Similarity NPD5764 Clinical (unspecified phase)
0.646 Remote Similarity NPD6080 Approved
0.646 Remote Similarity NPD6904 Approved
0.646 Remote Similarity NPD6051 Approved
0.646 Remote Similarity NPD1695 Approved
0.646 Remote Similarity NPD6673 Approved
0.6455 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6452 Remote Similarity NPD5247 Approved
0.6452 Remote Similarity NPD5248 Approved
0.6452 Remote Similarity NPD5249 Phase 3
0.6452 Remote Similarity NPD5250 Approved
0.6452 Remote Similarity NPD5251 Approved
0.6444 Remote Similarity NPD5956 Approved
0.6434 Remote Similarity NPD4522 Approved
0.6418 Remote Similarity NPD6033 Approved
0.6396 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6396 Remote Similarity NPD5363 Approved
0.6396 Remote Similarity NPD1694 Approved
0.6393 Remote Similarity NPD4767 Approved
0.6393 Remote Similarity NPD4768 Approved
0.6372 Remote Similarity NPD6672 Approved
0.6372 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6372 Remote Similarity NPD5737 Approved
0.6372 Remote Similarity NPD6903 Approved
0.6364 Remote Similarity NPD5362 Discontinued
0.6364 Remote Similarity NPD6110 Phase 1
0.6364 Remote Similarity NPD6695 Phase 3
0.6364 Remote Similarity NPD7154 Phase 3
0.6341 Remote Similarity NPD6685 Approved
0.6339 Remote Similarity NPD5690 Phase 2
0.6339 Remote Similarity NPD5279 Phase 3
0.6339 Remote Similarity NPD5280 Approved
0.6339 Remote Similarity NPD4694 Approved
0.6336 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6336 Remote Similarity NPD6908 Approved
0.6336 Remote Similarity NPD6909 Approved
0.6306 Remote Similarity NPD3666 Approved
0.6306 Remote Similarity NPD3133 Approved
0.6306 Remote Similarity NPD3665 Phase 1
0.6293 Remote Similarity NPD6399 Phase 3

Structure

External Identifiers

PubChem CID   6326658
ChEMBL   CHEMBL136985
ZINC  

Physicochemical Properties

Molecular Weight:  502.22
ALogP:  -0.3792
MLogP:  3.44
XLogP:  2.393
# Rotatable Bonds:  4
Polar Surface Area:  120.89
# H-Bond Aceptor:  9
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  36

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs