Natural Product: NPC269750

Natural Product ID:  NPC269750
Common Name:   Lyngbyastatin 7
IUPAC Name:   (2S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-(hexanoylamino)pentanediamide
Synonyms:   Lyngbyastatin 7
Molecular Formula:   C48H66N8O12
Standard InCHIKey:  DZIGKKCSWPSVIO-SWEGFNRNSA-N
Standard InCHI:  InChI=1S/C48H66N8O12/c1-7-9-11-16-38(59)50-33(21-23-37(49)58)43(62)54-41-28(5)68-48(67)40(27(3)4)53-44(63)35(25-30-17-19-31(57)20-18-30)55(6)47(66)36(26-29-14-12-10-13-15-29)56-39(60)24-22-34(46(56)65)52-42(61)32(8-2)51-45(41)64/h8,10,12-15,17-20,27-28,33-36,39-41,57,60H,7,9,11,16,21-26H2,1-6H3,(H2,49,58)(H,50,59)(H,51,64)(H,52,61)(H,53,63)(H,54,62)/b32-8-/t28-,33+,34+,35+,36+,39-,40+,41+/m1/s1
Canonical SMILES:  CCCCCC(=N[C@H](C(=N[C@H]1[C@@H](C)OC(=O)[C@@H](N=C(O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@@H](N2C(=O)[C@@H](N=C(/C(=C/C)/N=C1O)O)CC[C@H]2O)Cc1ccccc1)C(C)C)O)CCC(=N)O)O
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
NPO32763 lyngbya spp. Species Oscillatoriaceae Bacteria Florida PMID[17910513]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 8.3 nM 12670149
NPT2929 Protein Family Pancreatic elastase Sus scrofa IC50 = 2500 nM 12670149
NPT2 Others Unspecified IC50 = 2000 nM 12027767
NPT2 Others Unspecified IC50 > 30000 nM 18183025
NPT2 Others Unspecified IC50 = 8.3 nM 25739048
NPT279 Individual Protein Leukocyte elastase Homo sapiens IC50 = 23 nM 17279797
NPT2 Others Unspecified IC50 = 2500 nM 22880631
NPT2 Others Unspecified IC50 = 314 nM 15497934
NPT2 Others Unspecified IC50 = 30 nM 23357036

  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 NPC269750 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 NPC194671
0.9811 High Similarity NPC279871
0.9748 High Similarity NPC306804
0.9398 High Similarity NPC294951
0.9383 High Similarity NPC137627
0.9383 High Similarity NPC273755
0.9375 High Similarity NPC294516
0.9375 High Similarity NPC107938
0.9325 High Similarity NPC155506
0.9325 High Similarity NPC159767
0.9321 High Similarity NPC230611
0.9273 High Similarity NPC45037
0.9268 High Similarity NPC50016
0.9259 High Similarity NPC46009
0.9207 High Similarity NPC473402
0.9207 High Similarity NPC476227
0.9167 High Similarity NPC471049
0.9167 High Similarity NPC471050
0.9167 High Similarity NPC471048
0.9141 High Similarity NPC475204
0.9141 High Similarity NPC475123
0.9141 High Similarity NPC40234
0.9123 High Similarity NPC473305
0.9123 High Similarity NPC163961
0.8976 High Similarity NPC473354
0.8902 High Similarity NPC61332
0.8902 High Similarity NPC240130
0.8862 High Similarity NPC26108
0.8824 High Similarity NPC473404
0.8802 High Similarity NPC248670
0.875 High Similarity NPC471165
0.875 High Similarity NPC158277
0.875 High Similarity NPC302715
0.8713 High Similarity NPC476321
0.8663 High Similarity NPC471526
0.8539 High Similarity NPC328763
0.8443 Intermediate Similarity NPC63931
0.8418 Intermediate Similarity NPC102959
0.8412 Intermediate Similarity NPC89831
0.8383 Intermediate Similarity NPC471052
0.8383 Intermediate Similarity NPC471053
0.8383 Intermediate Similarity NPC471051
0.8371 Intermediate Similarity NPC60516
0.8352 Intermediate Similarity NPC323662
0.8344 Intermediate Similarity NPC473341
0.8333 Intermediate Similarity NPC65714
0.8324 Intermediate Similarity NPC473407
0.8324 Intermediate Similarity NPC473378
0.8284 Intermediate Similarity NPC61004
0.8246 Intermediate Similarity NPC274198
0.8246 Intermediate Similarity NPC198254
0.8242 Intermediate Similarity NPC473371
0.8204 Intermediate Similarity NPC244336
0.8197 Intermediate Similarity NPC471592
0.8171 Intermediate Similarity NPC233702
0.8162 Intermediate Similarity NPC477551
0.8161 Intermediate Similarity NPC196243
0.8155 Intermediate Similarity NPC469243
0.8152 Intermediate Similarity NPC477550
0.8152 Intermediate Similarity NPC477552
0.8148 Intermediate Similarity NPC16188
0.814 Intermediate Similarity NPC276506
0.8129 Intermediate Similarity NPC302597
0.8129 Intermediate Similarity NPC328649
0.8125 Intermediate Similarity NPC91953
0.8122 Intermediate Similarity NPC248822
0.8121 Intermediate Similarity NPC262166
0.8121 Intermediate Similarity NPC202198
0.8118 Intermediate Similarity NPC223207
0.8113 Intermediate Similarity NPC163392
0.8113 Intermediate Similarity NPC239762
0.8086 Intermediate Similarity NPC81026
0.807 Intermediate Similarity NPC471771
0.807 Intermediate Similarity NPC304074
0.807 Intermediate Similarity NPC290755
0.8063 Intermediate Similarity NPC197921
0.8047 Intermediate Similarity NPC475544
0.8025 Intermediate Similarity NPC266741
0.8024 Intermediate Similarity NPC244509
0.8012 Intermediate Similarity NPC122590
0.8012 Intermediate Similarity NPC469360
0.8 Intermediate Similarity NPC477462
0.8 Intermediate Similarity NPC241794
0.8 Intermediate Similarity NPC473491
0.7978 Intermediate Similarity NPC477637
0.7968 Intermediate Similarity NPC469443
0.7964 Intermediate Similarity NPC39431
0.7956 Intermediate Similarity NPC94862
0.7944 Intermediate Similarity NPC315542
0.7941 Intermediate Similarity NPC471527
0.7935 Intermediate Similarity NPC314083
0.7919 Intermediate Similarity NPC141957
0.7917 Intermediate Similarity NPC473580
0.7907 Intermediate Similarity NPC472923
0.7904 Intermediate Similarity NPC56685
0.7898 Intermediate Similarity NPC136797
0.7892 Intermediate Similarity NPC7817
0.7892 Intermediate Similarity NPC475168
0.7886 Intermediate Similarity NPC328494
0.7872 Intermediate Similarity NPC473450
0.7865 Intermediate Similarity NPC475421
0.7861 Intermediate Similarity NPC254700
0.7857 Intermediate Similarity NPC470902
0.7845 Intermediate Similarity NPC299806
0.7841 Intermediate Similarity NPC475532
0.784 Intermediate Similarity NPC476989
0.7835 Intermediate Similarity NPC326333
0.7831 Intermediate Similarity NPC2501
0.7829 Intermediate Similarity NPC196091
0.7821 Intermediate Similarity NPC153554
0.7811 Intermediate Similarity NPC476268
0.7798 Intermediate Similarity NPC5194
0.7798 Intermediate Similarity NPC261934
0.7797 Intermediate Similarity NPC17698
0.7797 Intermediate Similarity NPC165285
0.7796 Intermediate Similarity NPC477632
0.7796 Intermediate Similarity NPC477638
0.7778 Intermediate Similarity NPC319320
0.7778 Intermediate Similarity NPC287757
0.7772 Intermediate Similarity NPC64140
0.7772 Intermediate Similarity NPC478005
0.7772 Intermediate Similarity NPC174122
0.7771 Intermediate Similarity NPC280022
0.7755 Intermediate Similarity NPC326027
0.7747 Intermediate Similarity NPC138083
0.7736 Intermediate Similarity NPC257390
0.7735 Intermediate Similarity NPC470903
0.7735 Intermediate Similarity NPC470112
0.7735 Intermediate Similarity NPC167763
0.773 Intermediate Similarity NPC477526
0.772 Intermediate Similarity NPC220060
0.7717 Intermediate Similarity NPC234069
0.7714 Intermediate Similarity NPC209463
0.7684 Intermediate Similarity NPC242728
0.768 Intermediate Similarity NPC469444
0.7674 Intermediate Similarity NPC1390
0.7674 Intermediate Similarity NPC62104
0.767 Intermediate Similarity NPC129486
0.7667 Intermediate Similarity NPC97526
0.7667 Intermediate Similarity NPC119652
0.7644 Intermediate Similarity NPC133470
0.7644 Intermediate Similarity NPC289776
0.7644 Intermediate Similarity NPC191863
0.7636 Intermediate Similarity NPC52748
0.7627 Intermediate Similarity NPC471568
0.7627 Intermediate Similarity NPC473693
0.7616 Intermediate Similarity NPC323336
0.7616 Intermediate Similarity NPC326349
0.7614 Intermediate Similarity NPC473502
0.7612 Intermediate Similarity NPC478007
0.7606 Intermediate Similarity NPC184933
0.7606 Intermediate Similarity NPC59827
0.7579 Intermediate Similarity NPC50548
0.7576 Intermediate Similarity NPC161069
0.7571 Intermediate Similarity NPC186617
0.7568 Intermediate Similarity NPC4910
0.7566 Intermediate Similarity NPC477639
0.7563 Intermediate Similarity NPC469445
0.756 Intermediate Similarity NPC471821
0.756 Intermediate Similarity NPC471820
0.756 Intermediate Similarity NPC9373
0.7546 Intermediate Similarity NPC127741
0.7546 Intermediate Similarity NPC6570
0.7538 Intermediate Similarity NPC219350
0.7538 Intermediate Similarity NPC194699
0.7537 Intermediate Similarity NPC478008
0.753 Intermediate Similarity NPC476978
0.7527 Intermediate Similarity NPC32064
0.7526 Intermediate Similarity NPC144314
0.7516 Intermediate Similarity NPC326966
0.7514 Intermediate Similarity NPC197743
0.7514 Intermediate Similarity NPC297145
0.7514 Intermediate Similarity NPC276120
0.75 Intermediate Similarity NPC210377
0.75 Intermediate Similarity NPC313694
0.75 Intermediate Similarity NPC242159
0.75 Intermediate Similarity NPC22883
0.75 Intermediate Similarity NPC164608
0.75 Intermediate Similarity NPC477631
0.75 Intermediate Similarity NPC5719
0.75 Intermediate Similarity NPC217804
0.7487 Intermediate Similarity NPC477527
0.7487 Intermediate Similarity NPC477636
0.7485 Intermediate Similarity NPC209509
0.7474 Intermediate Similarity NPC149962
0.7473 Intermediate Similarity NPC329731
0.7471 Intermediate Similarity NPC324081
0.7469 Intermediate Similarity NPC244866
0.744 Intermediate Similarity NPC314358
0.7438 Intermediate Similarity NPC296712
0.7416 Intermediate Similarity NPC63040
0.7414 Intermediate Similarity NPC56635
0.7396 Intermediate Similarity NPC135121
0.7396 Intermediate Similarity NPC138775
0.7394 Intermediate Similarity NPC29531
0.7391 Intermediate Similarity NPC325651
0.7387 Intermediate Similarity NPC277306
0.7387 Intermediate Similarity NPC469442
0.7381 Intermediate Similarity NPC313867
0.7381 Intermediate Similarity NPC5620

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC269750 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
0.8144 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD7608 Discontinued
0.7778 Intermediate Similarity NPD8019 Approved
0.7759 Intermediate Similarity NPD8303 Discontinued
0.7692 Intermediate Similarity NPD7131 Phase 3
0.7572 Intermediate Similarity NPD7495 Discontinued
0.7539 Intermediate Similarity NPD7810 Phase 3
0.7539 Intermediate Similarity NPD7811 Phase 3
0.7472 Intermediate Similarity NPD7485 Phase 3
0.7472 Intermediate Similarity NPD7484 Phase 3
0.747 Intermediate Similarity NPD7978 Discontinued
0.7453 Intermediate Similarity NPD3136 Phase 2
0.741 Intermediate Similarity NPD7450 Phase 2
0.7396 Intermediate Similarity NPD8323 Discontinued
0.7366 Intermediate Similarity NPD6851 Approved
0.7366 Intermediate Similarity NPD6853 Approved
0.7366 Intermediate Similarity NPD5946 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD8031 Discontinued
0.7283 Intermediate Similarity NPD7523 Phase 3
0.7225 Intermediate Similarity NPD7303 Discontinued
0.7176 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD6297 Approved
0.7126 Intermediate Similarity NPD8172 Phase 2
0.7126 Intermediate Similarity NPD7613 Discontinued
0.7126 Intermediate Similarity NPD8173 Phase 2
0.712 Intermediate Similarity NPD7617 Discontinued
0.7118 Intermediate Similarity NPD6681 Discovery
0.7115 Intermediate Similarity NPD8356 Approved
0.7104 Intermediate Similarity NPD5137 Approved
0.7088 Intermediate Similarity NPD2017 Approved
0.7088 Intermediate Similarity NPD2890 Approved
0.7088 Intermediate Similarity NPD2889 Approved
0.7088 Intermediate Similarity NPD2888 Approved
0.7081 Intermediate Similarity NPD4659 Approved
0.7074 Intermediate Similarity NPD7132 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD8430 Approved
0.7059 Intermediate Similarity NPD5445 Approved
0.7041 Intermediate Similarity NPD6867 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6866 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD3125 Approved
0.7035 Intermediate Similarity NPD3400 Discontinued
0.7017 Intermediate Similarity NPD2098 Approved
0.7016 Intermediate Similarity NPD8103 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6346 Approved
0.6988 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6988 Remote Similarity NPD1330 Phase 2
0.6979 Remote Similarity NPD8025 Phase 2
0.6977 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4652 Approved
0.6931 Remote Similarity NPD5192 Clinical (unspecified phase)
0.6927 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6073 Approved
0.6919 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6906 Remote Similarity NPD2097 Approved
0.6906 Remote Similarity NPD7080 Clinical (unspecified phase)
0.689 Remote Similarity NPD4104 Clinical (unspecified phase)
0.689 Remote Similarity NPD4103 Phase 2
0.6882 Remote Similarity NPD3554 Approved
0.6882 Remote Similarity NPD3555 Approved
0.6882 Remote Similarity NPD3552 Approved
0.6882 Remote Similarity NPD6294 Approved
0.6882 Remote Similarity NPD6295 Approved
0.6882 Remote Similarity NPD3553 Approved
0.6872 Remote Similarity NPD8417 Discontinued
0.6857 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6845 Remote Similarity NPD5745 Approved
0.6839 Remote Similarity NPD5481 Discontinued
0.6834 Remote Similarity NPD7565 Approved
0.6831 Remote Similarity NPD5218 Approved
0.6831 Remote Similarity NPD5219 Approved
0.6825 Remote Similarity NPD7695 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6088 Approved
0.6816 Remote Similarity NPD8163 Clinical (unspecified phase)
0.6816 Remote Similarity NPD8162 Phase 2
0.681 Remote Similarity NPD2562 Approved
0.681 Remote Similarity NPD2561 Approved
0.681 Remote Similarity NPD2584 Suspended
0.6807 Remote Similarity NPD4175 Approved
0.6807 Remote Similarity NPD4177 Approved
0.6805 Remote Similarity NPD5296 Approved
0.6802 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6784 Remote Similarity NPD6852 Discontinued
0.6768 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6768 Remote Similarity NPD4677 Discontinued
0.6763 Remote Similarity NPD8076 Discontinued
0.676 Remote Similarity NPD8315 Phase 1
0.6758 Remote Similarity NPD7972 Discontinued
0.6757 Remote Similarity NPD5823 Approved
0.6755 Remote Similarity NPD5200 Clinical (unspecified phase)
0.6747 Remote Similarity NPD5339 Clinical (unspecified phase)
0.6747 Remote Similarity NPD7451 Discontinued
0.6743 Remote Similarity NPD6676 Phase 2
0.6742 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6390 Discontinued
0.674 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6737 Remote Similarity NPD5557 Phase 1
0.6736 Remote Similarity NPD6237 Clinical (unspecified phase)
0.6732 Remote Similarity NPD7585 Approved
0.6728 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6726 Remote Similarity NPD5746 Approved
0.6725 Remote Similarity NPD5725 Approved
0.6725 Remote Similarity NPD2568 Approved
0.6721 Remote Similarity NPD5967 Approved
0.6717 Remote Similarity NPD6312 Discontinued
0.6706 Remote Similarity NPD6623 Phase 3
0.6705 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6703 Remote Similarity NPD5356 Approved
0.6703 Remote Similarity NPD5355 Approved
0.6703 Remote Similarity NPD8245 Clinical (unspecified phase)
0.6702 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6685 Remote Similarity NPD3536 Discontinued
0.6685 Remote Similarity NPD5556 Clinical (unspecified phase)
0.6683 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6683 Remote Similarity NPD7583 Approved
0.6667 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7113 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5201 Approved
0.6667 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6667 Remote Similarity NPD555 Phase 2
0.6667 Remote Similarity NPD4620 Approved
0.6667 Remote Similarity NPD6668 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4617 Approved
0.6667 Remote Similarity NPD5203 Approved
0.665 Remote Similarity NPD6863 Phase 2
0.6649 Remote Similarity NPD4521 Clinical (unspecified phase)
0.6649 Remote Similarity NPD5485 Approved
0.6649 Remote Similarity NPD5190 Phase 2
0.6649 Remote Similarity NPD5484 Approved
0.6648 Remote Similarity NPD7105 Phase 1
0.6648 Remote Similarity NPD1967 Approved
0.6648 Remote Similarity NPD1968 Approved
0.6647 Remote Similarity NPD5747 Discontinued
0.6647 Remote Similarity NPD6405 Approved
0.6647 Remote Similarity NPD6407 Approved
0.6636 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6634 Remote Similarity NPD8161 Suspended
0.6633 Remote Similarity NPD5558 Clinical (unspecified phase)
0.6633 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6632 Remote Similarity NPD3909 Discontinued
0.663 Remote Similarity NPD7600 Phase 2
0.663 Remote Similarity NPD3455 Phase 2
0.6628 Remote Similarity NPD3052 Approved
0.6628 Remote Similarity NPD3054 Approved
0.6627 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6862 Phase 2
0.6608 Remote Similarity NPD5120 Approved
0.6608 Remote Similarity NPD5121 Approved
0.6608 Remote Similarity NPD8265 Approved
0.6608 Remote Similarity NPD8416 Discontinued
0.6608 Remote Similarity NPD5119 Approved
0.6604 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6601 Remote Similarity NPD6254 Approved
0.6601 Remote Similarity NPD6255 Approved
0.6601 Remote Similarity NPD6256 Approved
0.6599 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6598 Remote Similarity NPD7281 Phase 3
0.6598 Remote Similarity NPD7280 Phase 3
0.6597 Remote Similarity NPD3965 Phase 1
0.6597 Remote Similarity NPD6042 Phase 2
0.6597 Remote Similarity NPD4603 Phase 2
0.6597 Remote Similarity NPD42 Phase 2
0.659 Remote Similarity NPD6901 Phase 3
0.6588 Remote Similarity NPD5581 Approved
0.6584 Remote Similarity NPD9568 Approved
0.6582 Remote Similarity NPD7683 Discontinued
0.6573 Remote Similarity NPD6667 Approved
0.6573 Remote Similarity NPD6666 Approved
0.657 Remote Similarity NPD8643 Discontinued
0.6568 Remote Similarity NPD5263 Approved
0.6564 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6557 Remote Similarity NPD7749 Clinical (unspecified phase)
0.6556 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6554 Remote Similarity NPD7066 Clinical (unspecified phase)
0.6552 Remote Similarity NPD6253 Approved
0.6552 Remote Similarity NPD1753 Discontinued
0.655 Remote Similarity NPD7714 Approved
0.655 Remote Similarity NPD7715 Approved
0.655 Remote Similarity NPD259 Phase 1
0.655 Remote Similarity NPD7634 Clinical (unspecified phase)
0.6545 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6545 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6532 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6532 Remote Similarity NPD5314 Approved
0.6522 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7011 Discontinued
0.6514 Remote Similarity NPD2239 Approved
0.6514 Remote Similarity NPD2240 Approved
0.6514 Remote Similarity NPD1725 Approved
0.6514 Remote Similarity NPD4086 Phase 1
0.6514 Remote Similarity NPD9570 Approved
0.6513 Remote Similarity NPD5035 Approved
0.6512 Remote Similarity NPD6796 Discontinued
0.6512 Remote Similarity NPD826 Approved
0.6512 Remote Similarity NPD825 Approved
0.651 Remote Similarity NPD5312 Approved
0.651 Remote Similarity NPD5313 Approved
0.6509 Remote Similarity NPD8149 Discontinued
0.6507 Remote Similarity NPD3803 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   23657291
ChEMBL   CHEMBL398726
ZINC  

Physicochemical Properties

Molecular Weight:  946.48
ALogP:  -3.927
MLogP:  4.54
XLogP:  6.302
# Rotatable Bonds:  29
Polar Surface Area:  314.41
# H-Bond Aceptor:  19
# H-Bond Donor:  9
# Rings:  4
# Heavy Atoms:  68

Download Data

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