Natural Product: NPC476743

Natural Product ID:  NPC476743
Common Name:   Burkholdines 1213
IUPAC Name:   2-[(3S,6S,9S,15R,18R,21R,25R)-3,15-bis(2-amino-2-oxoethyl)-25-[(2R,3R,4S)-2,3-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-18-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-6,21-bis(hydroxymethyl)-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]acetamide
Synonyms:   Burkholdines 1213
Molecular Formula:   C52H83N11O22
Standard InCHIKey:  IRPZALKPQWMSQP-DDAPKMJSSA-N
Standard InCHI:  InChI=1S/C52H83N11O22/c1-2-3-4-5-6-7-8-9-10-11-35(85-52-45(77)44(76)34(68)24-84-52)43(75)33(67)16-26-17-39(72)59-31(22-64)50(82)63-41(42(74)25-12-14-27(66)15-13-25)51(83)61-28(18-36(53)69)46(78)56-21-40(73)58-29(19-37(54)70)48(80)62-32(23-65)49(81)60-30(20-38(55)71)47(79)57-26/h12-15,26,28-35,41-45,52,64-68,74-77H,2-11,16-24H2,1H3,(H2,53,69)(H2,54,70)(H2,55,71)(H,56,78)(H,57,79)(H,58,73)(H,59,72)(H,60,81)(H,61,83)(H,62,80)(H,63,82)/t26-,28-,29+,30+,31-,32+,33-,34-,35+,41-,42-,43-,44+,45-,52+/m1/s1
Canonical SMILES:  CCCCCCCCCCC[C@@H]([C@@H]([C@@H](C[C@@H]1CC(=N[C@H](CO)C(=N[C@@H](C(=N[C@H](CC(=N)O)C(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N1)O)CC(=N)O)O)CO)O)CC(=N)O)O)O)O)[C@@H](c1ccc(cc1)O)O)O)O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)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
NPO6674 Burkholderia ambifaria Species Burkholderiaceae Bacteria PMID[22988812]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 2 ug/ml 22988812
NPT20 Organism Candida albicans Candida albicans MIC = 31 ug/ml 22988812
NPT21 Organism Aspergillus niger Aspergillus niger MIC = 2 ug/ml 22988812
NPT2 Others Unspecified Ratio = 1 22988812

  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 NPC476743 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
0.9928 High Similarity NPC476744
0.9787 High Similarity NPC476742
0.9718 High Similarity NPC476741
0.9065 High Similarity NPC64205
0.8299 Intermediate Similarity NPC469360
0.8133 Intermediate Similarity NPC63628
0.8133 Intermediate Similarity NPC178466
0.8108 Intermediate Similarity NPC197921
0.8089 Intermediate Similarity NPC476194
0.8054 Intermediate Similarity NPC91953
0.7935 Intermediate Similarity NPC139699
0.7935 Intermediate Similarity NPC114659
0.7857 Intermediate Similarity NPC282409
0.7857 Intermediate Similarity NPC469702
0.7826 Intermediate Similarity NPC148055
0.7801 Intermediate Similarity NPC469548
0.7801 Intermediate Similarity NPC476445
0.7801 Intermediate Similarity NPC476448
0.7785 Intermediate Similarity NPC6570
0.7746 Intermediate Similarity NPC55608
0.7736 Intermediate Similarity NPC18249
0.7736 Intermediate Similarity NPC140915
0.7736 Intermediate Similarity NPC187028
0.7736 Intermediate Similarity NPC197741
0.7736 Intermediate Similarity NPC10221
0.7736 Intermediate Similarity NPC305700
0.7711 Intermediate Similarity NPC471165
0.7681 Intermediate Similarity NPC157338
0.7676 Intermediate Similarity NPC160854
0.7676 Intermediate Similarity NPC201402
0.7676 Intermediate Similarity NPC469703
0.7676 Intermediate Similarity NPC469704
0.766 Intermediate Similarity NPC283760
0.7647 Intermediate Similarity NPC195814
0.764 Intermediate Similarity NPC471203
0.7626 Intermediate Similarity NPC317254
0.7622 Intermediate Similarity NPC469686
0.7569 Intermediate Similarity NPC471067
0.756 Intermediate Similarity NPC50016
0.7551 Intermediate Similarity NPC469687
0.753 Intermediate Similarity NPC198741
0.7517 Intermediate Similarity NPC178449
0.7517 Intermediate Similarity NPC212176
0.7517 Intermediate Similarity NPC232454
0.7517 Intermediate Similarity NPC470907
0.7516 Intermediate Similarity NPC36434
0.7485 Intermediate Similarity NPC156348
0.7468 Intermediate Similarity NPC168861
0.7468 Intermediate Similarity NPC298821
0.7451 Intermediate Similarity NPC214988
0.7447 Intermediate Similarity NPC175771
0.744 Intermediate Similarity NPC273755
0.7429 Intermediate Similarity NPC313193
0.7425 Intermediate Similarity NPC475204
0.7425 Intermediate Similarity NPC475123
0.7425 Intermediate Similarity NPC46009
0.7419 Intermediate Similarity NPC123761
0.7389 Intermediate Similarity NPC161155
0.7389 Intermediate Similarity NPC136951
0.7389 Intermediate Similarity NPC97004
0.7381 Intermediate Similarity NPC328494
0.7379 Intermediate Similarity NPC266045
0.7368 Intermediate Similarity NPC45037
0.7342 Intermediate Similarity NPC97282
0.7337 Intermediate Similarity NPC306804
0.7337 Intermediate Similarity NPC248670
0.7333 Intermediate Similarity NPC469549
0.7319 Intermediate Similarity NPC258056
0.7315 Intermediate Similarity NPC173150
0.7315 Intermediate Similarity NPC35288
0.7315 Intermediate Similarity NPC45224
0.7315 Intermediate Similarity NPC471882
0.7315 Intermediate Similarity NPC103533
0.7315 Intermediate Similarity NPC156692
0.7315 Intermediate Similarity NPC108659
0.7315 Intermediate Similarity NPC79715
0.7315 Intermediate Similarity NPC231607
0.7315 Intermediate Similarity NPC264900
0.7315 Intermediate Similarity NPC471881
0.7308 Intermediate Similarity NPC242728
0.7305 Intermediate Similarity NPC118202
0.7297 Intermediate Similarity NPC90318
0.7293 Intermediate Similarity NPC50548
0.7285 Intermediate Similarity NPC326966
0.7284 Intermediate Similarity NPC244509
0.7273 Intermediate Similarity NPC38458
0.7273 Intermediate Similarity NPC311737
0.7273 Intermediate Similarity NPC263829
0.726 Intermediate Similarity NPC474862
0.7256 Intermediate Similarity NPC244336
0.7251 Intermediate Similarity NPC477115
0.725 Intermediate Similarity NPC277857
0.725 Intermediate Similarity NPC115144
0.7248 Intermediate Similarity NPC61181
0.7248 Intermediate Similarity NPC94179
0.7246 Intermediate Similarity NPC15506
0.7238 Intermediate Similarity NPC144314
0.7237 Intermediate Similarity NPC235294
0.7237 Intermediate Similarity NPC46137
0.723 Intermediate Similarity NPC95733
0.723 Intermediate Similarity NPC62101
0.7229 Intermediate Similarity NPC69360
0.7219 Intermediate Similarity NPC184092
0.7219 Intermediate Similarity NPC40234
0.7211 Intermediate Similarity NPC476142
0.7211 Intermediate Similarity NPC52097
0.7203 Intermediate Similarity NPC82963
0.7202 Intermediate Similarity NPC294516
0.7202 Intermediate Similarity NPC107938
0.72 Intermediate Similarity NPC288416
0.72 Intermediate Similarity NPC106677
0.7198 Intermediate Similarity NPC477552
0.7198 Intermediate Similarity NPC477550
0.7197 Intermediate Similarity NPC326241
0.7195 Intermediate Similarity NPC207675
0.7195 Intermediate Similarity NPC212699
0.7195 Intermediate Similarity NPC56635
0.7193 Intermediate Similarity NPC474953
0.7193 Intermediate Similarity NPC26108
0.7193 Intermediate Similarity NPC473402
0.7193 Intermediate Similarity NPC476227
0.7193 Intermediate Similarity NPC473354
0.719 Intermediate Similarity NPC267237
0.7188 Intermediate Similarity NPC132771
0.7182 Intermediate Similarity NPC149962
0.7181 Intermediate Similarity NPC29477
0.7176 Intermediate Similarity NPC230611
0.7171 Intermediate Similarity NPC469705
0.7171 Intermediate Similarity NPC470122
0.7171 Intermediate Similarity NPC17968
0.7168 Intermediate Similarity NPC269750
0.7168 Intermediate Similarity NPC194671
0.7158 Intermediate Similarity NPC123859
0.7152 Intermediate Similarity NPC148982
0.7143 Intermediate Similarity NPC11724
0.7143 Intermediate Similarity NPC474149
0.7133 Intermediate Similarity NPC471157
0.7125 Intermediate Similarity NPC313414
0.7124 Intermediate Similarity NPC138777
0.7124 Intermediate Similarity NPC478255
0.7124 Intermediate Similarity NPC65942
0.7124 Intermediate Similarity NPC248307
0.7124 Intermediate Similarity NPC246869
0.7124 Intermediate Similarity NPC225384
0.712 Intermediate Similarity NPC477551
0.7115 Intermediate Similarity NPC204848
0.7115 Intermediate Similarity NPC41473
0.7115 Intermediate Similarity NPC14600
0.7115 Intermediate Similarity NPC160607
0.7115 Intermediate Similarity NPC312770
0.7105 Intermediate Similarity NPC326333
0.7102 Intermediate Similarity NPC474607
0.7101 Intermediate Similarity NPC231705
0.7099 Intermediate Similarity NPC470935
0.7099 Intermediate Similarity NPC471032
0.7097 Intermediate Similarity NPC169398
0.7097 Intermediate Similarity NPC35731
0.7093 Intermediate Similarity NPC158277
0.7086 Intermediate Similarity NPC198798
0.7086 Intermediate Similarity NPC473404
0.7086 Intermediate Similarity NPC476321
0.7081 Intermediate Similarity NPC245974
0.7078 Intermediate Similarity NPC254275
0.7078 Intermediate Similarity NPC471066
0.7078 Intermediate Similarity NPC471095
0.7076 Intermediate Similarity NPC89831
0.7075 Intermediate Similarity NPC198734
0.7075 Intermediate Similarity NPC476872
0.7075 Intermediate Similarity NPC469412
0.7075 Intermediate Similarity NPC269242
0.7073 Intermediate Similarity NPC476268
0.7071 Intermediate Similarity NPC290566
0.7071 Intermediate Similarity NPC145638
0.707 Intermediate Similarity NPC469364
0.707 Intermediate Similarity NPC469696
0.707 Intermediate Similarity NPC65262
0.707 Intermediate Similarity NPC101686
0.707 Intermediate Similarity NPC299583
0.7067 Intermediate Similarity NPC126991
0.7067 Intermediate Similarity NPC83218
0.7062 Intermediate Similarity NPC474650
0.7059 Intermediate Similarity NPC54125
0.7059 Intermediate Similarity NPC45191
0.7059 Intermediate Similarity NPC89199
0.7059 Intermediate Similarity NPC275538
0.7055 Intermediate Similarity NPC14950
0.705 Intermediate Similarity NPC142297
0.7047 Intermediate Similarity NPC307020
0.7047 Intermediate Similarity NPC211218
0.7045 Intermediate Similarity NPC471526
0.7044 Intermediate Similarity NPC47471
0.7044 Intermediate Similarity NPC476377
0.7041 Intermediate Similarity NPC61004
0.7041 Intermediate Similarity NPC179250
0.7041 Intermediate Similarity NPC50380
0.7039 Intermediate Similarity NPC325651
0.7039 Intermediate Similarity NPC225307
0.7039 Intermediate Similarity NPC158673
0.7039 Intermediate Similarity NPC102959
0.7037 Intermediate Similarity NPC473491

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476743 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
0.8054 Intermediate Similarity NPD7978 Discontinued
0.75 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD3136 Phase 2
0.7423 Intermediate Similarity NPD5772 Approved
0.7423 Intermediate Similarity NPD5773 Approved
0.7365 Intermediate Similarity NPD7451 Discontinued
0.7351 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD52 Approved
0.7312 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD7526 Approved
0.7279 Intermediate Similarity NPD9622 Approved
0.7225 Intermediate Similarity NPD7007 Discovery
0.7212 Intermediate Similarity NPD2978 Approved
0.7212 Intermediate Similarity NPD2977 Approved
0.7211 Intermediate Similarity NPD2561 Approved
0.7211 Intermediate Similarity NPD2562 Approved
0.7161 Intermediate Similarity NPD3553 Approved
0.7161 Intermediate Similarity NPD3554 Approved
0.7161 Intermediate Similarity NPD3552 Approved
0.7161 Intermediate Similarity NPD3555 Approved
0.7153 Intermediate Similarity NPD317 Approved
0.7153 Intermediate Similarity NPD318 Approved
0.7124 Intermediate Similarity NPD1130 Approved
0.7124 Intermediate Similarity NPD1136 Approved
0.7124 Intermediate Similarity NPD1132 Approved
0.7097 Intermediate Similarity NPD823 Approved
0.7097 Intermediate Similarity NPD2568 Approved
0.7097 Intermediate Similarity NPD5314 Approved
0.7097 Intermediate Similarity NPD817 Approved
0.7091 Intermediate Similarity NPD6072 Discontinued
0.7071 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD4103 Phase 2
0.7067 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD9614 Approved
0.7063 Intermediate Similarity NPD9618 Approved
0.7059 Intermediate Similarity NPD598 Approved
0.7059 Intermediate Similarity NPD601 Approved
0.7059 Intermediate Similarity NPD597 Approved
0.7047 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD4659 Approved
0.7034 Intermediate Similarity NPD16 Approved
0.7034 Intermediate Similarity NPD856 Approved
0.7013 Intermediate Similarity NPD840 Approved
0.7013 Intermediate Similarity NPD839 Approved
0.7013 Intermediate Similarity NPD1423 Approved
0.7013 Intermediate Similarity NPD6405 Approved
0.7013 Intermediate Similarity NPD6407 Approved
0.7007 Intermediate Similarity NPD9381 Approved
0.7007 Intermediate Similarity NPD9384 Approved
0.7006 Intermediate Similarity NPD6867 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6866 Clinical (unspecified phase)
0.6988 Remote Similarity NPD7118 Clinical (unspecified phase)
0.6968 Remote Similarity NPD3059 Approved
0.6968 Remote Similarity NPD3061 Approved
0.6968 Remote Similarity NPD3062 Approved
0.6951 Remote Similarity NPD7523 Phase 3
0.6946 Remote Similarity NPD8019 Approved
0.6933 Remote Similarity NPD3536 Discontinued
0.6933 Remote Similarity NPD4739 Approved
0.6918 Remote Similarity NPD7266 Discontinued
0.6908 Remote Similarity NPD9619 Approved
0.6908 Remote Similarity NPD9621 Approved
0.6908 Remote Similarity NPD9620 Approved
0.6905 Remote Similarity NPD7089 Clinical (unspecified phase)
0.6894 Remote Similarity NPD3400 Discontinued
0.6892 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6883 Remote Similarity NPD3179 Approved
0.6883 Remote Similarity NPD3180 Approved
0.6879 Remote Similarity NPD3052 Approved
0.6879 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6879 Remote Similarity NPD3054 Approved
0.6875 Remote Similarity NPD7153 Discontinued
0.6871 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6855 Remote Similarity NPD9570 Approved
0.6855 Remote Similarity NPD7450 Phase 2
0.6852 Remote Similarity NPD302 Approved
0.6842 Remote Similarity NPD1133 Approved
0.6842 Remote Similarity NPD1134 Approved
0.6842 Remote Similarity NPD1135 Approved
0.6842 Remote Similarity NPD1129 Approved
0.6842 Remote Similarity NPD1131 Approved
0.6813 Remote Similarity NPD2029 Clinical (unspecified phase)
0.68 Remote Similarity NPD1091 Approved
0.6797 Remote Similarity NPD602 Approved
0.6797 Remote Similarity NPD599 Approved
0.6795 Remote Similarity NPD2674 Phase 3
0.6792 Remote Similarity NPD4108 Discontinued
0.679 Remote Similarity NPD7066 Clinical (unspecified phase)
0.6784 Remote Similarity NPD8031 Discontinued
0.6758 Remote Similarity NPD6841 Approved
0.6758 Remote Similarity NPD6843 Phase 3
0.6758 Remote Similarity NPD6842 Approved
0.675 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6728 Remote Similarity NPD3060 Approved
0.6727 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6727 Remote Similarity NPD4123 Phase 3
0.6727 Remote Similarity NPD3985 Discontinued
0.6727 Remote Similarity NPD5348 Clinical (unspecified phase)
0.6724 Remote Similarity NPD7608 Discontinued
0.6714 Remote Similarity NPD9610 Approved
0.6714 Remote Similarity NPD9608 Approved
0.6711 Remote Similarity NPD3685 Discontinued
0.671 Remote Similarity NPD596 Approved
0.671 Remote Similarity NPD600 Approved
0.6709 Remote Similarity NPD555 Phase 2
0.6708 Remote Similarity NPD1375 Discontinued
0.6706 Remote Similarity NPD7972 Discontinued
0.6689 Remote Similarity NPD9615 Approved
0.6689 Remote Similarity NPD9613 Approved
0.6689 Remote Similarity NPD9616 Approved
0.6688 Remote Similarity NPD858 Approved
0.6688 Remote Similarity NPD859 Approved
0.6687 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4005 Discontinued
0.6667 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7495 Discontinued
0.6646 Remote Similarity NPD3692 Discontinued
0.6644 Remote Similarity NPD316 Approved
0.6627 Remote Similarity NPD6419 Discontinued
0.6627 Remote Similarity NPD4678 Approved
0.6627 Remote Similarity NPD4675 Approved
0.6627 Remote Similarity NPD681 Clinical (unspecified phase)
0.6627 Remote Similarity NPD8417 Discontinued
0.6626 Remote Similarity NPD4236 Phase 3
0.6626 Remote Similarity NPD4237 Approved
0.6624 Remote Similarity NPD3145 Approved
0.6624 Remote Similarity NPD3144 Approved
0.6624 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6623 Remote Similarity NPD1819 Approved
0.6623 Remote Similarity NPD3421 Phase 3
0.6623 Remote Similarity NPD3053 Approved
0.6623 Remote Similarity NPD1817 Approved
0.6623 Remote Similarity NPD1820 Approved
0.6623 Remote Similarity NPD1818 Approved
0.6623 Remote Similarity NPD3055 Approved
0.6614 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6607 Remote Similarity NPD3687 Approved
0.6607 Remote Similarity NPD3686 Approved
0.6605 Remote Similarity NPD6809 Clinical (unspecified phase)
0.6591 Remote Similarity NPD2215 Approved
0.6591 Remote Similarity NPD2216 Approved
0.6587 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6584 Remote Similarity NPD1753 Discontinued
0.6582 Remote Similarity NPD259 Phase 1
0.6582 Remote Similarity NPD7477 Discontinued
0.6582 Remote Similarity NPD7801 Approved
0.6568 Remote Similarity NPD3455 Phase 2
0.6564 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6561 Remote Similarity NPD3166 Approved
0.6561 Remote Similarity NPD3167 Approved
0.6561 Remote Similarity NPD3165 Approved
0.6561 Remote Similarity NPD3164 Approved
0.6558 Remote Similarity NPD5311 Approved
0.6558 Remote Similarity NPD5310 Approved
0.6556 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6548 Remote Similarity NPD7827 Phase 1
0.6545 Remote Similarity NPD2677 Approved
0.6543 Remote Similarity NPD2161 Phase 2
0.6541 Remote Similarity NPD6346 Approved
0.6541 Remote Similarity NPD825 Approved
0.6541 Remote Similarity NPD826 Approved
0.6531 Remote Similarity NPD2229 Approved
0.6531 Remote Similarity NPD2234 Approved
0.6531 Remote Similarity NPD2228 Approved
0.6527 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6524 Remote Similarity NPD2458 Approved
0.6524 Remote Similarity NPD5150 Phase 2
0.6524 Remote Similarity NPD4162 Approved
0.6524 Remote Similarity NPD2459 Approved
0.6524 Remote Similarity NPD2460 Phase 3
0.6519 Remote Similarity NPD8014 Clinical (unspecified phase)
0.6512 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6512 Remote Similarity NPD7046 Clinical (unspecified phase)
0.651 Remote Similarity NPD6823 Phase 2
0.6506 Remote Similarity NPD5756 Phase 2
0.6506 Remote Similarity NPD3122 Phase 3
0.6494 Remote Similarity NPD8070 Approved
0.6488 Remote Similarity NPD7303 Discontinued
0.6488 Remote Similarity NPD7613 Discontinued
0.6478 Remote Similarity NPD829 Discontinued
0.6477 Remote Similarity NPD6669 Phase 2
0.6474 Remote Similarity NPD3556 Approved
0.6474 Remote Similarity NPD3560 Approved
0.6474 Remote Similarity NPD3558 Approved
0.6474 Remote Similarity NPD3557 Approved
0.6474 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6056 Approved
0.6471 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6057 Approved
0.6467 Remote Similarity NPD1774 Approved
0.6463 Remote Similarity NPD9379 Approved
0.6463 Remote Similarity NPD9377 Approved
0.6457 Remote Similarity NPD8303 Discontinued
0.645 Remote Similarity NPD2122 Discontinued
0.6443 Remote Similarity NPD7508 Discontinued
0.6442 Remote Similarity NPD2240 Approved
0.6442 Remote Similarity NPD2239 Approved

Structure

External Identifiers

PubChem CID   71460075
ChEMBL   CHEMBL2146950
ZINC  

Physicochemical Properties

Molecular Weight:  1213.57
ALogP:  -9.8187
MLogP:  3.55
XLogP:  -0.449
# Rotatable Bonds:  47
Polar Surface Area:  593.49
# H-Bond Aceptor:  32
# H-Bond Donor:  23
# Rings:  3
# Heavy Atoms:  85

Download Data

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