Natural Product: NPC133678

Natural Product ID:  NPC133678
Common Name:   [(2R,3R,4R,6S)-6-[(2R,2'r,3's,3Ar,4R,4'r,6S,7S,7Ar)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3Ar,3'as,4R,6's,7R,7'r,7As,7'as)-7-(2,4-Dihydroxy-6-Methylbenzoyl)Oxy-7'-Hydroxyspiro[3A,6,7,7A-Tetrahydro-[1,3]Dioxolo[4,5-C]Pyran-4,2'-4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-C]Pyran]-6'-Yl]Oxy-4-Hydroxy-5-Methoxy-2-(Methoxymethyl)Oxan-3-Yl]Oxy-3-Hydroxy-5-Methoxy-6-Methyloxan-4-Yl]Oxy-4',7-Dihydroxy-2',4,7A-Trimethylspiro[3A,4,6,7-Tetrahydro-[1,3]Dioxolo[4,5-C]Pyran-2,6'-Oxane]-3'-Yl]Oxy-4-[(2S,4S,5R,6S)-5-Methoxy-4,6-Dimethyl-4-Nitrooxan-2-Yl]Oxy-2-Methyloxan-3-Yl] 3-Chloro-2,4-Dihydroxy-6-Methylbenzoate
IUPAC Name:   [(2R,3R,4R,6S)-6-[(2R,2'R,3'S,3aR,4R,4'R,6S,7S,7aR)-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6S)-6-[(3aR,3'aS,4R,6'S,7R,7'R,7aS,7'aS)-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7'-hydroxyspiro[3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4,2'-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6'-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4',7-dihydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-[(2S,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl]oxy-2-methyloxan-3-yl] 3-chloro-2,4-dihydroxy-6-methylbenzoate
Synonyms:   SCH-58769
Molecular Formula:   C69H96ClNO38
Standard InCHIKey:  QOLCQSMNOVLBMK-DJELFNRCSA-N
Standard InCHI:  InChI=1S/C69H96ClNO38/c1-24-14-31(72)16-32(73)41(24)60(81)98-37-22-92-69(59-53(37)90-23-91-59)106-38-21-89-62(46(78)52(38)107-69)104-64-55(87-12)45(77)51(36(99-64)20-85-10)102-63-47(79)54(50(86-11)27(4)95-63)103-65-56(80)67(9)58(30(7)96-65)108-68(109-67)18-34(75)48(28(5)105-68)100-39-17-35(97-40-19-66(8,71(83)84)57(88-13)29(6)94-40)49(26(3)93-39)101-61(82)42-25(2)15-33(74)43(70)44(42)76/h14-16,26-30,34-40,45-59,62-65,72-80H,17-23H2,1-13H3/t26-,27-,28-,29+,30-,34-,35-,36-,37-,38+,39+,40+,45+,46-,47-,48-,49-,50+,51-,52-,53+,54-,55+,56-,57+,58-,59-,62+,63+,64+,65+,66+,67-,68-,69-/m1/s1
Canonical SMILES:  COC[C@H]1O[C@@H](O[C@@H]2OC[C@H]3[C@H]([C@H]2O)O[C@@]2(O3)OC[C@H]([C@H]3[C@H]2OCO3)OC(=O)c2c(C)cc(cc2O)O)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](C)[C@@H]2[C@]([C@@H]1O)(C)O[C@]1(O2)C[C@@H](O)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@@](C1)(C)N(=O)=O)OC)OC(=O)c1c(C)cc(c(c1O)Cl)O)OC)O)OC
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
NPO21710.1 Micromonospora carbonacea Under-species NA NA PMID[12444681]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 17 mm Open TG-GATES in vivo data: Hematology
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 18 mm Open TG-GATES in vivo data: Hematology
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 16 mm Open TG-GATES in vivo data: Hematology
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 22 mm 21051535

  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 NPC133678 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
0.9747 High Similarity NPC85735
0.9366 High Similarity NPC83933
0.9272 High Similarity NPC167027
0.7931 Intermediate Similarity NPC136411
0.7876 Intermediate Similarity NPC69868
0.772 Intermediate Similarity NPC257309
0.7413 Intermediate Similarity NPC249977
0.7313 Intermediate Similarity NPC7752
0.7313 Intermediate Similarity NPC99216
0.7304 Intermediate Similarity NPC288152
0.7304 Intermediate Similarity NPC137871
0.7304 Intermediate Similarity NPC257011
0.7304 Intermediate Similarity NPC9002
0.7277 Intermediate Similarity NPC262222
0.7277 Intermediate Similarity NPC68592
0.7277 Intermediate Similarity NPC298666
0.7255 Intermediate Similarity NPC199079
0.7255 Intermediate Similarity NPC210808
0.7246 Intermediate Similarity NPC120952
0.7246 Intermediate Similarity NPC241196
0.7243 Intermediate Similarity NPC470194
0.7243 Intermediate Similarity NPC282474
0.7243 Intermediate Similarity NPC470198
0.7243 Intermediate Similarity NPC470196
0.7243 Intermediate Similarity NPC314687
0.7243 Intermediate Similarity NPC470200
0.7243 Intermediate Similarity NPC470193
0.7243 Intermediate Similarity NPC316274
0.7243 Intermediate Similarity NPC470195
0.7243 Intermediate Similarity NPC470197
0.7235 Intermediate Similarity NPC314941
0.7233 Intermediate Similarity NPC63105
0.7215 Intermediate Similarity NPC315889
0.7198 Intermediate Similarity NPC176246
0.7178 Intermediate Similarity NPC311850
0.7177 Intermediate Similarity NPC470453
0.7177 Intermediate Similarity NPC470448
0.7177 Intermediate Similarity NPC470452
0.7177 Intermediate Similarity NPC469371
0.7177 Intermediate Similarity NPC164047
0.7164 Intermediate Similarity NPC472405
0.7156 Intermediate Similarity NPC470103
0.7156 Intermediate Similarity NPC475352
0.7156 Intermediate Similarity NPC229817
0.7156 Intermediate Similarity NPC221140
0.7156 Intermediate Similarity NPC473686
0.7156 Intermediate Similarity NPC475220
0.715 Intermediate Similarity NPC470199
0.715 Intermediate Similarity NPC198199
0.715 Intermediate Similarity NPC314459
0.7143 Intermediate Similarity NPC35924
0.7143 Intermediate Similarity NPC199172
0.7143 Intermediate Similarity NPC316461
0.7136 Intermediate Similarity NPC13989
0.7136 Intermediate Similarity NPC477617
0.7136 Intermediate Similarity NPC470099
0.7129 Intermediate Similarity NPC245059
0.7129 Intermediate Similarity NPC298171
0.7129 Intermediate Similarity NPC473696
0.7129 Intermediate Similarity NPC475382
0.7129 Intermediate Similarity NPC84494
0.7129 Intermediate Similarity NPC195114
0.7123 Intermediate Similarity NPC294863
0.7123 Intermediate Similarity NPC282636
0.7114 Intermediate Similarity NPC328093
0.7108 Intermediate Similarity NPC28669
0.7108 Intermediate Similarity NPC70441
0.7101 Intermediate Similarity NPC213052
0.7101 Intermediate Similarity NPC65118
0.7095 Intermediate Similarity NPC477860
0.7095 Intermediate Similarity NPC475161
0.7094 Intermediate Similarity NPC470081
0.7094 Intermediate Similarity NPC470563
0.7094 Intermediate Similarity NPC473644
0.7087 Intermediate Similarity NPC138990
0.7087 Intermediate Similarity NPC209550
0.7087 Intermediate Similarity NPC175429
0.7087 Intermediate Similarity NPC470272
0.7087 Intermediate Similarity NPC298778
0.7087 Intermediate Similarity NPC277532
0.7083 Intermediate Similarity NPC42286
0.7081 Intermediate Similarity NPC80360
0.7081 Intermediate Similarity NPC471802
0.7079 Intermediate Similarity NPC101636
0.7079 Intermediate Similarity NPC298401
0.7075 Intermediate Similarity NPC33083
0.7075 Intermediate Similarity NPC241847
0.7073 Intermediate Similarity NPC311389
0.7073 Intermediate Similarity NPC470271
0.7065 Intermediate Similarity NPC279732
0.7062 Intermediate Similarity NPC473631
0.7062 Intermediate Similarity NPC293227
0.7062 Intermediate Similarity NPC473717
0.7062 Intermediate Similarity NPC475662
0.7059 Intermediate Similarity NPC478026
0.7059 Intermediate Similarity NPC173352
0.7059 Intermediate Similarity NPC287889
0.7059 Intermediate Similarity NPC58653
0.7059 Intermediate Similarity NPC135358
0.7056 Intermediate Similarity NPC470100
0.7053 Intermediate Similarity NPC261254
0.7053 Intermediate Similarity NPC183441
0.7053 Intermediate Similarity NPC180918
0.7051 Intermediate Similarity NPC313541
0.7051 Intermediate Similarity NPC313274
0.7048 Intermediate Similarity NPC187441
0.7048 Intermediate Similarity NPC192539
0.7048 Intermediate Similarity NPC72783
0.7048 Intermediate Similarity NPC283980
0.7044 Intermediate Similarity NPC291957
0.7044 Intermediate Similarity NPC14030
0.7044 Intermediate Similarity NPC470561
0.7044 Intermediate Similarity NPC474096
0.7041 Intermediate Similarity NPC221352
0.7039 Intermediate Similarity NPC105283
0.7039 Intermediate Similarity NPC473202
0.7039 Intermediate Similarity NPC293629
0.7039 Intermediate Similarity NPC43587
0.7033 Intermediate Similarity NPC475233
0.7033 Intermediate Similarity NPC89127
0.7033 Intermediate Similarity NPC202908
0.7033 Intermediate Similarity NPC471669
0.7033 Intermediate Similarity NPC312630
0.7033 Intermediate Similarity NPC324220
0.7033 Intermediate Similarity NPC122467
0.7033 Intermediate Similarity NPC48984
0.7033 Intermediate Similarity NPC14187
0.7033 Intermediate Similarity NPC46958
0.7033 Intermediate Similarity NPC255799
0.7033 Intermediate Similarity NPC473862
0.7033 Intermediate Similarity NPC292019
0.703 Intermediate Similarity NPC97285
0.703 Intermediate Similarity NPC246469
0.703 Intermediate Similarity NPC142860
0.703 Intermediate Similarity NPC271270
0.7028 Intermediate Similarity NPC275977
0.7028 Intermediate Similarity NPC249560
0.7028 Intermediate Similarity NPC223860
0.7028 Intermediate Similarity NPC106700
0.7024 Intermediate Similarity NPC474061
0.7024 Intermediate Similarity NPC189564
0.7024 Intermediate Similarity NPC256188
0.7024 Intermediate Similarity NPC469459
0.7024 Intermediate Similarity NPC221342
0.7024 Intermediate Similarity NPC64425
0.7024 Intermediate Similarity NPC12013
0.7024 Intermediate Similarity NPC477613
0.7024 Intermediate Similarity NPC175793
0.7024 Intermediate Similarity NPC32641
0.7024 Intermediate Similarity NPC186816
0.7024 Intermediate Similarity NPC142142
0.7024 Intermediate Similarity NPC476470
0.7024 Intermediate Similarity NPC203145
0.7024 Intermediate Similarity NPC11432
0.7023 Intermediate Similarity NPC48474
0.7023 Intermediate Similarity NPC264302
0.7019 Intermediate Similarity NPC25724
0.7015 Intermediate Similarity NPC478226
0.701 Intermediate Similarity NPC470898
0.7005 Intermediate Similarity NPC105095
0.7005 Intermediate Similarity NPC177731
0.7005 Intermediate Similarity NPC477571
0.7005 Intermediate Similarity NPC48822
0.7005 Intermediate Similarity NPC79056
0.7005 Intermediate Similarity NPC477573
0.7005 Intermediate Similarity NPC44328
0.7005 Intermediate Similarity NPC477572
0.7 Intermediate Similarity NPC89052
0.7 Intermediate Similarity NPC469418
0.7 Intermediate Similarity NPC251417
0.7 Intermediate Similarity NPC260300
0.7 Intermediate Similarity NPC173837
0.6995 Remote Similarity NPC473554
0.6995 Remote Similarity NPC87583
0.6995 Remote Similarity NPC470719
0.6995 Remote Similarity NPC295625
0.699 Remote Similarity NPC261411
0.699 Remote Similarity NPC190204
0.699 Remote Similarity NPC298847
0.699 Remote Similarity NPC43918
0.6986 Remote Similarity NPC131405
0.6986 Remote Similarity NPC68381
0.6986 Remote Similarity NPC199533
0.6986 Remote Similarity NPC470454
0.6986 Remote Similarity NPC474345
0.6986 Remote Similarity NPC102028
0.6981 Remote Similarity NPC241781
0.6981 Remote Similarity NPC156785
0.6981 Remote Similarity NPC162394
0.698 Remote Similarity NPC138811
0.698 Remote Similarity NPC22062
0.698 Remote Similarity NPC53139
0.698 Remote Similarity NPC473634
0.6978 Remote Similarity NPC315253
0.6977 Remote Similarity NPC472724
0.6977 Remote Similarity NPC472721
0.6977 Remote Similarity NPC469652
0.6977 Remote Similarity NPC187632
0.6977 Remote Similarity NPC472720
0.6977 Remote Similarity NPC93065

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC133678 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
0.7235 Intermediate Similarity NPD8319 Approved
0.7235 Intermediate Similarity NPD8320 Phase 1
0.7195 Intermediate Similarity NPD7783 Phase 2
0.7195 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7700 Phase 2
0.7037 Intermediate Similarity NPD7699 Phase 2
0.7027 Intermediate Similarity NPD8151 Discontinued
0.7005 Intermediate Similarity NPD7074 Phase 3
0.7005 Intermediate Similarity NPD7472 Approved
0.6986 Remote Similarity NPD7808 Phase 3
0.6957 Remote Similarity NPD7054 Approved
0.6955 Remote Similarity NPD7696 Phase 3
0.6955 Remote Similarity NPD7698 Approved
0.6955 Remote Similarity NPD7697 Approved
0.6938 Remote Similarity NPD7251 Discontinued
0.6906 Remote Similarity NPD7701 Phase 2
0.6898 Remote Similarity NPD6535 Approved
0.6898 Remote Similarity NPD6534 Approved
0.689 Remote Similarity NPD6797 Phase 2
0.6875 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6872 Remote Similarity NPD7930 Approved
0.6849 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6847 Remote Similarity NPD7871 Phase 2
0.6847 Remote Similarity NPD7870 Phase 2
0.6844 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6844 Remote Similarity NPD7874 Approved
0.6827 Remote Similarity NPD7228 Approved
0.6818 Remote Similarity NPD6781 Approved
0.6818 Remote Similarity NPD6779 Approved
0.6818 Remote Similarity NPD6778 Approved
0.6818 Remote Similarity NPD6780 Approved
0.6818 Remote Similarity NPD6782 Approved
0.6818 Remote Similarity NPD6777 Approved
0.6818 Remote Similarity NPD6776 Approved
0.6806 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6726 Remote Similarity NPD7435 Discontinued
0.6682 Remote Similarity NPD6823 Phase 2
0.6667 Remote Similarity NPD3818 Discontinued
0.6667 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7801 Approved
0.6636 Remote Similarity NPD8313 Approved
0.6636 Remote Similarity NPD8312 Approved
0.6621 Remote Similarity NPD6213 Phase 3
0.6621 Remote Similarity NPD6212 Phase 3
0.6621 Remote Similarity NPD6214 Clinical (unspecified phase)
0.662 Remote Similarity NPD6559 Discontinued
0.662 Remote Similarity NPD8150 Discontinued
0.662 Remote Similarity NPD7240 Approved
0.6553 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6537 Remote Similarity NPD7819 Suspended
0.652 Remote Similarity NPD7999 Approved
0.6493 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6493 Remote Similarity NPD6166 Phase 2
0.6493 Remote Similarity NPD6168 Clinical (unspecified phase)
0.649 Remote Similarity NPD6234 Discontinued
0.6473 Remote Similarity NPD4965 Approved
0.6473 Remote Similarity NPD4967 Phase 2
0.6473 Remote Similarity NPD4966 Approved
0.6471 Remote Similarity NPD4380 Phase 2
0.646 Remote Similarity NPD5006 Approved
0.646 Remote Similarity NPD5005 Approved
0.6447 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6442 Remote Similarity NPD7075 Discontinued
0.6441 Remote Similarity NPD4360 Phase 2
0.6441 Remote Similarity NPD4363 Phase 3
0.6429 Remote Similarity NPD6959 Discontinued
0.6419 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6398 Remote Similarity NPD5710 Approved
0.6398 Remote Similarity NPD5711 Approved
0.6394 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6391 Remote Similarity NPD7585 Approved
0.6389 Remote Similarity NPD7685 Pre-registration
0.636 Remote Similarity NPD7680 Approved
0.6355 Remote Similarity NPD7799 Discontinued
0.6351 Remote Similarity NPD7199 Phase 2
0.6349 Remote Similarity NPD8059 Phase 3
0.6349 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6348 Remote Similarity NPD7583 Approved
0.6348 Remote Similarity NPD7584 Approved
0.6347 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6339 Remote Similarity NPD4361 Phase 2
0.6339 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6338 Remote Similarity NPD2403 Approved
0.6332 Remote Similarity NPD970 Clinical (unspecified phase)
0.6329 Remote Similarity NPD37 Approved
0.6329 Remote Similarity NPD1934 Approved
0.6321 Remote Similarity NPD6232 Discontinued
0.6308 Remote Similarity NPD7473 Discontinued
0.6305 Remote Similarity NPD2532 Approved
0.6305 Remote Similarity NPD2534 Approved
0.6305 Remote Similarity NPD2533 Approved
0.6298 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6298 Remote Similarity NPD8455 Phase 2
0.6298 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6283 Remote Similarity NPD4420 Approved
0.6281 Remote Similarity NPD7266 Discontinued
0.6268 Remote Similarity NPD3817 Phase 2
0.6268 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6268 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6261 Remote Similarity NPD8397 Clinical (unspecified phase)
0.625 Remote Similarity NPD5844 Phase 1
0.6227 Remote Similarity NPD8407 Phase 2
0.622 Remote Similarity NPD1465 Phase 2
0.6215 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6209 Remote Similarity NPD3749 Approved
0.6204 Remote Similarity NPD3751 Discontinued
0.62 Remote Similarity NPD1852 Discontinued
0.619 Remote Similarity NPD5402 Approved
0.6186 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6184 Remote Similarity NPD8285 Discontinued
0.6175 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6172 Remote Similarity NPD6801 Discontinued
0.6168 Remote Similarity NPD3787 Discontinued
0.6161 Remote Similarity NPD3882 Suspended
0.6154 Remote Similarity NPD7090 Clinical (unspecified phase)
0.615 Remote Similarity NPD5494 Approved
0.6146 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6143 Remote Similarity NPD2801 Approved
0.6131 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6124 Remote Similarity NPD7411 Suspended
0.6098 Remote Similarity NPD6799 Approved
0.6098 Remote Similarity NPD7390 Discontinued
0.6091 Remote Similarity NPD8368 Discontinued
0.6087 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6087 Remote Similarity NPD5403 Approved
0.6085 Remote Similarity NPD7768 Phase 2
0.6063 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6062 Remote Similarity NPD3819 Phase 2
0.6044 Remote Similarity NPD8360 Approved
0.6044 Remote Similarity NPD8361 Approved
0.6042 Remote Similarity NPD8404 Phase 2
0.604 Remote Similarity NPD1552 Clinical (unspecified phase)
0.604 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6037 Remote Similarity NPD7784 Clinical (unspecified phase)
0.603 Remote Similarity NPD230 Phase 1
0.6027 Remote Similarity NPD8434 Phase 2
0.6019 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6019 Remote Similarity NPD1511 Approved
0.6017 Remote Similarity NPD4914 Approved
0.6017 Remote Similarity NPD7501 Clinical (unspecified phase)
0.601 Remote Similarity NPD1549 Phase 2
0.6009 Remote Similarity NPD6312 Discontinued
0.6008 Remote Similarity NPD8067 Phase 3
0.6 Remote Similarity NPD6599 Discontinued
0.6 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6 Remote Similarity NPD6190 Approved
0.5991 Remote Similarity NPD5242 Approved
0.5991 Remote Similarity NPD7296 Approved
0.599 Remote Similarity NPD5401 Approved
0.599 Remote Similarity NPD4378 Clinical (unspecified phase)
0.5981 Remote Similarity NPD2370 Clinical (unspecified phase)
0.5973 Remote Similarity NPD8435 Approved
0.5973 Remote Similarity NPD7959 Clinical (unspecified phase)
0.5971 Remote Similarity NPD5058 Phase 3
0.5969 Remote Similarity NPD8152 Approved
0.5969 Remote Similarity NPD8153 Approved
0.5962 Remote Similarity NPD1512 Approved
0.5962 Remote Similarity NPD5353 Approved
0.5959 Remote Similarity NPD5619 Clinical (unspecified phase)
0.5951 Remote Similarity NPD3750 Approved
0.5951 Remote Similarity NPD1878 Clinical (unspecified phase)
0.5948 Remote Similarity NPD8486 Clinical (unspecified phase)
0.5946 Remote Similarity NPD8014 Clinical (unspecified phase)
0.5941 Remote Similarity NPD1510 Phase 2
0.5913 Remote Similarity NPD7410 Clinical (unspecified phase)
0.5905 Remote Similarity NPD1653 Approved
0.5899 Remote Similarity NPD8127 Discontinued
0.5897 Remote Similarity NPD4387 Approved
0.5897 Remote Similarity NPD4386 Approved
0.5896 Remote Similarity NPD7942 Clinical (unspecified phase)
0.5885 Remote Similarity NPD1940 Clinical (unspecified phase)
0.5879 Remote Similarity NPD3764 Approved
0.5878 Remote Similarity NPD8366 Approved
0.5877 Remote Similarity NPD3455 Phase 2
0.5877 Remote Similarity NPD7458 Discontinued
0.5875 Remote Similarity NPD7827 Phase 1
0.5874 Remote Similarity NPD4628 Phase 3
0.5872 Remote Similarity NPD7497 Discontinued
0.5862 Remote Similarity NPD1509 Clinical (unspecified phase)
0.5847 Remote Similarity NPD8491 Approved
0.5845 Remote Similarity NPD3887 Approved
0.5845 Remote Similarity NPD2354 Approved
0.5837 Remote Similarity NPD5544 Approved
0.5833 Remote Similarity NPD6625 Approved
0.5833 Remote Similarity NPD2796 Approved
0.5833 Remote Similarity NPD2935 Discontinued
0.5823 Remote Similarity NPD8469 Approved
0.5821 Remote Similarity NPD1240 Approved
0.5819 Remote Similarity NPD8090 Clinical (unspecified phase)
0.5819 Remote Similarity NPD8485 Approved
0.5815 Remote Similarity NPD3857 Clinical (unspecified phase)
0.5815 Remote Similarity NPD8424 Clinical (unspecified phase)
0.58 Remote Similarity NPD6859 Clinical (unspecified phase)
0.5792 Remote Similarity NPD1899 Clinical (unspecified phase)
0.5775 Remote Similarity NPD4972 Discontinued
0.5771 Remote Similarity NPD6784 Approved
0.5771 Remote Similarity NPD6723 Discontinued
0.5771 Remote Similarity NPD6785 Approved
0.5769 Remote Similarity NPD7565 Approved

Structure

External Identifiers

PubChem CID   44575973
ChEMBL   CHEMBL506440
ZINC  

Physicochemical Properties

Molecular Weight:  1581.53
ALogP:  -3.9176
MLogP:  4.65
XLogP:  -0.881
# Rotatable Bonds:  46
Polar Surface Area:  490.1
# H-Bond Aceptor:  32
# H-Bond Donor:  9
# Rings:  13
# Heavy Atoms:  109

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Similar NPs/Drugs