Natural Product: NPC325976

Natural Product ID:  NPC325976
Common Name:   Tyrocidine C
IUPAC Name:   3-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-24,27-bis(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]propanamide
Synonyms:   Tyrocidine C
Molecular Formula:   C70H89N15O13
Standard InCHIKey:  NJMWWUADORPGGY-AJOXBXEMSA-N
Standard InCHI:  InChI=1S/C70H89N15O13/c1-38(2)30-51-63(91)83-56(32-40-14-6-5-7-15-40)70(98)85-29-13-21-57(85)68(96)82-54(34-43-37-75-48-19-11-9-17-46(43)48)65(93)80-53(33-42-36-74-47-18-10-8-16-45(42)47)64(92)81-55(35-59(73)88)66(94)76-50(26-27-58(72)87)62(90)79-52(31-41-22-24-44(86)25-23-41)67(95)84-60(39(3)4)69(97)77-49(20-12-28-71)61(89)78-51/h5-11,14-19,22-25,36-39,49-57,60,74-75,86H,12-13,20-21,26-35,71H2,1-4H3,(H2,72,87)(H2,73,88)(H,76,94)(H,77,97)(H,78,89)(H,79,90)(H,80,93)(H,81,92)(H,82,96)(H,83,91)(H,84,95)/t49-,50-,51-,52-,53+,54-,55-,56+,57-,60-/m0/s1
Canonical SMILES:  NCCC[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](Cc2ccc(cc2)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](N=C([C@@H](N=C([C@H]2N(C(=O)[C@H](N=C([C@@H](N=C1O)CC(C)C)O)Cc1ccccc1)CCC2)O)Cc1c[nH]c2c1cccc2)O)Cc1c[nH]c2c1cccc2)C(C)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
NPO23673 Brevibacillus brevis Species Paenibacillaceae Bacteria PMID[4320358]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity < 50 % 19586775
NPT564 Organism Listeria monocytogenes Listeria monocytogenes Activity = 1.48 % 19586775
NPT564 Organism Listeria monocytogenes Listeria monocytogenes Activity = 66 % 19586775
NPT729 Organism Micrococcus luteus Micrococcus luteus IC50 = 6400 nM 19586775
NPT564 Organism Listeria monocytogenes Listeria monocytogenes IC50 = 9500 nM 19586775
NPT564 Organism Listeria monocytogenes Listeria monocytogenes IC50 = 7000 nM 19586775

  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 NPC325976 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
0.9807 High Similarity NPC326363
0.9193 High Similarity NPC153400
0.8756 High Similarity NPC24370
0.8756 High Similarity NPC319232
0.8739 High Similarity NPC28945
0.852 High Similarity NPC323752
0.8489 Intermediate Similarity NPC285343
0.8404 Intermediate Similarity NPC162860
0.8396 Intermediate Similarity NPC54420
0.8372 Intermediate Similarity NPC75634
0.8356 Intermediate Similarity NPC220852
0.8349 Intermediate Similarity NPC477714
0.8333 Intermediate Similarity NPC314882
0.8303 Intermediate Similarity NPC477715
0.8278 Intermediate Similarity NPC171317
0.827 Intermediate Similarity NPC478006
0.8265 Intermediate Similarity NPC264285
0.8233 Intermediate Similarity NPC477633
0.8211 Intermediate Similarity NPC478157
0.8182 Intermediate Similarity NPC478009
0.8153 Intermediate Similarity NPC473317
0.8148 Intermediate Similarity NPC107077
0.8148 Intermediate Similarity NPC223791
0.814 Intermediate Similarity NPC315467
0.8128 Intermediate Similarity NPC477635
0.8128 Intermediate Similarity NPC477630
0.8122 Intermediate Similarity NPC155143
0.8117 Intermediate Similarity NPC16352
0.8089 Intermediate Similarity NPC214142
0.8087 Intermediate Similarity NPC184225
0.8075 Intermediate Similarity NPC475506
0.807 Intermediate Similarity NPC321592
0.807 Intermediate Similarity NPC54803
0.8068 Intermediate Similarity NPC213629
0.8066 Intermediate Similarity NPC100321
0.8062 Intermediate Similarity NPC95240
0.8062 Intermediate Similarity NPC223409
0.8053 Intermediate Similarity NPC124920
0.8053 Intermediate Similarity NPC304307
0.8053 Intermediate Similarity NPC34580
0.8053 Intermediate Similarity NPC118559
0.8053 Intermediate Similarity NPC261251
0.8044 Intermediate Similarity NPC125597
0.8037 Intermediate Similarity NPC110602
0.8037 Intermediate Similarity NPC75726
0.8037 Intermediate Similarity NPC31385
0.8033 Intermediate Similarity NPC478010
0.8019 Intermediate Similarity NPC473640
0.8018 Intermediate Similarity NPC100547
0.8017 Intermediate Similarity NPC477861
0.7982 Intermediate Similarity NPC322135
0.7982 Intermediate Similarity NPC478158
0.7974 Intermediate Similarity NPC41679
0.7965 Intermediate Similarity NPC478028
0.7948 Intermediate Similarity NPC14288
0.7937 Intermediate Similarity NPC281049
0.7931 Intermediate Similarity NPC15801
0.7909 Intermediate Similarity NPC320968
0.7897 Intermediate Similarity NPC478029
0.7897 Intermediate Similarity NPC293917
0.7892 Intermediate Similarity NPC304926
0.7892 Intermediate Similarity NPC476041
0.7885 Intermediate Similarity NPC94752
0.7879 Intermediate Similarity NPC284888
0.7879 Intermediate Similarity NPC323198
0.7878 Intermediate Similarity NPC314056
0.7871 Intermediate Similarity NPC478011
0.7867 Intermediate Similarity NPC99666
0.786 Intermediate Similarity NPC315491
0.786 Intermediate Similarity NPC45459
0.786 Intermediate Similarity NPC191382
0.786 Intermediate Similarity NPC56109
0.7857 Intermediate Similarity NPC303658
0.7848 Intermediate Similarity NPC183407
0.7845 Intermediate Similarity NPC33064
0.7845 Intermediate Similarity NPC245055
0.784 Intermediate Similarity NPC314176
0.7821 Intermediate Similarity NPC82472
0.7798 Intermediate Similarity NPC473376
0.7798 Intermediate Similarity NPC475070
0.7798 Intermediate Similarity NPC470500
0.7797 Intermediate Similarity NPC473312
0.7788 Intermediate Similarity NPC276657
0.7783 Intermediate Similarity NPC324149
0.7782 Intermediate Similarity NPC478013
0.7762 Intermediate Similarity NPC17059
0.7753 Intermediate Similarity NPC474896
0.7749 Intermediate Similarity NPC69843
0.7748 Intermediate Similarity NPC82370
0.7739 Intermediate Similarity NPC6215
0.7729 Intermediate Similarity NPC478012
0.7725 Intermediate Similarity NPC321708
0.7721 Intermediate Similarity NPC156704
0.7719 Intermediate Similarity NPC155444
0.7719 Intermediate Similarity NPC31097
0.7716 Intermediate Similarity NPC475969
0.7716 Intermediate Similarity NPC475859
0.7709 Intermediate Similarity NPC272174
0.7706 Intermediate Similarity NPC476874
0.7706 Intermediate Similarity NPC193761
0.7703 Intermediate Similarity NPC5145
0.7685 Intermediate Similarity NPC131887
0.7682 Intermediate Similarity NPC63031
0.7682 Intermediate Similarity NPC328924
0.7682 Intermediate Similarity NPC207686
0.7678 Intermediate Similarity NPC46580
0.7672 Intermediate Similarity NPC470730
0.7672 Intermediate Similarity NPC477175
0.7662 Intermediate Similarity NPC323244
0.7662 Intermediate Similarity NPC476491
0.766 Intermediate Similarity NPC477549
0.7658 Intermediate Similarity NPC476116
0.7657 Intermediate Similarity NPC78609
0.7655 Intermediate Similarity NPC27041
0.764 Intermediate Similarity NPC117980
0.7639 Intermediate Similarity NPC474877
0.7639 Intermediate Similarity NPC77555
0.7633 Intermediate Similarity NPC475746
0.763 Intermediate Similarity NPC171171
0.7629 Intermediate Similarity NPC194740
0.7619 Intermediate Similarity NPC228835
0.7611 Intermediate Similarity NPC74969
0.7611 Intermediate Similarity NPC322064
0.7607 Intermediate Similarity NPC165743
0.7607 Intermediate Similarity NPC89987
0.7605 Intermediate Similarity NPC81175
0.76 Intermediate Similarity NPC54744
0.7597 Intermediate Similarity NPC470729
0.7597 Intermediate Similarity NPC477176
0.7595 Intermediate Similarity NPC470784
0.7591 Intermediate Similarity NPC476098
0.7588 Intermediate Similarity NPC269270
0.7583 Intermediate Similarity NPC15102
0.7583 Intermediate Similarity NPC314002
0.7578 Intermediate Similarity NPC61038
0.7577 Intermediate Similarity NPC305984
0.7576 Intermediate Similarity NPC476818
0.7574 Intermediate Similarity NPC63279
0.7573 Intermediate Similarity NPC171393
0.7573 Intermediate Similarity NPC295452
0.757 Intermediate Similarity NPC117244
0.757 Intermediate Similarity NPC473763
0.7568 Intermediate Similarity NPC323927
0.7565 Intermediate Similarity NPC162748
0.7564 Intermediate Similarity NPC477177
0.7564 Intermediate Similarity NPC476451
0.756 Intermediate Similarity NPC271792
0.7559 Intermediate Similarity NPC477634
0.7558 Intermediate Similarity NPC227582
0.7555 Intermediate Similarity NPC14686
0.7554 Intermediate Similarity NPC33949
0.7553 Intermediate Similarity NPC184680
0.7552 Intermediate Similarity NPC178858
0.7544 Intermediate Similarity NPC473310
0.7542 Intermediate Similarity NPC477107
0.7542 Intermediate Similarity NPC477108
0.7542 Intermediate Similarity NPC297642
0.7542 Intermediate Similarity NPC477109
0.7536 Intermediate Similarity NPC204717
0.7534 Intermediate Similarity NPC213308
0.7534 Intermediate Similarity NPC252338
0.7523 Intermediate Similarity NPC175602
0.7523 Intermediate Similarity NPC306376
0.7522 Intermediate Similarity NPC477610
0.7521 Intermediate Similarity NPC470785
0.7521 Intermediate Similarity NPC471891
0.752 Intermediate Similarity NPC321939
0.7511 Intermediate Similarity NPC315804
0.7511 Intermediate Similarity NPC213530
0.7511 Intermediate Similarity NPC193267
0.7511 Intermediate Similarity NPC272549
0.7511 Intermediate Similarity NPC313804
0.75 Intermediate Similarity NPC201831
0.75 Intermediate Similarity NPC17487
0.749 Intermediate Similarity NPC91868
0.749 Intermediate Similarity NPC63971
0.7489 Intermediate Similarity NPC270918
0.7488 Intermediate Similarity NPC314603
0.7488 Intermediate Similarity NPC220765
0.7479 Intermediate Similarity NPC477607
0.7479 Intermediate Similarity NPC477608
0.7478 Intermediate Similarity NPC110182
0.7466 Intermediate Similarity NPC476073
0.7464 Intermediate Similarity NPC59269
0.7458 Intermediate Similarity NPC477516
0.7457 Intermediate Similarity NPC64216
0.7456 Intermediate Similarity NPC36405
0.7456 Intermediate Similarity NPC170114
0.7454 Intermediate Similarity NPC471448
0.7448 Intermediate Similarity NPC101350
0.7446 Intermediate Similarity NPC60621
0.7445 Intermediate Similarity NPC207866
0.7436 Intermediate Similarity NPC186351
0.7432 Intermediate Similarity NPC53144
0.7429 Intermediate Similarity NPC181081
0.7429 Intermediate Similarity NPC11126
0.7424 Intermediate Similarity NPC472285
0.7421 Intermediate Similarity NPC300183
0.7419 Intermediate Similarity NPC63109
0.7412 Intermediate Similarity NPC470549

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC325976 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
0.9324 High Similarity NPD8405 Clinical (unspecified phase)
0.8584 High Similarity NPD7603 Discontinued
0.8406 Intermediate Similarity NPD7948 Phase 1
0.8203 Intermediate Similarity NPD8093 Discontinued
0.814 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.8073 Intermediate Similarity NPD7470 Discontinued
0.8 Intermediate Similarity NPD8094 Discontinued
0.7972 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7897 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD8349 Phase 1
0.7879 Intermediate Similarity NPD7790 Approved
0.7879 Intermediate Similarity NPD7951 Approved
0.7879 Intermediate Similarity NPD7950 Approved
0.7879 Intermediate Similarity NPD7791 Approved
0.7879 Intermediate Similarity NPD7952 Approved
0.7879 Intermediate Similarity NPD7789 Approved
0.7879 Intermediate Similarity NPD7953 Approved
0.786 Intermediate Similarity NPD484 Approved
0.786 Intermediate Similarity NPD7781 Approved
0.786 Intermediate Similarity NPD7780 Approved
0.7812 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD8284 Discontinued
0.7802 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7783 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7748 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD7730 Approved
0.7739 Intermediate Similarity NPD7731 Approved
0.7717 Intermediate Similarity NPD8272 Phase 2
0.771 Intermediate Similarity NPD7944 Discontinued
0.7703 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7672 Intermediate Similarity NPD7824 Approved
0.7652 Intermediate Similarity NPD7271 Approved
0.765 Intermediate Similarity NPD8395 Approved
0.765 Intermediate Similarity NPD8396 Approved
0.7647 Intermediate Similarity NPD8322 Phase 2
0.7642 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD5426 Phase 3
0.7619 Intermediate Similarity NPD7711 Discontinued
0.7566 Intermediate Similarity NPD7971 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD7970 Approved
0.756 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.7539 Intermediate Similarity NPD7181 Phase 3
0.7534 Intermediate Similarity NPD7666 Phase 3
0.7534 Intermediate Similarity NPD7665 Phase 2
0.7534 Intermediate Similarity NPD2916 Discontinued
0.7523 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.7523 Intermediate Similarity NPD7957 Phase 1
0.7512 Intermediate Similarity NPD8431 Approved
0.7512 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7558 Phase 2
0.7489 Intermediate Similarity NPD6999 Discontinued
0.7489 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD8524 Approved
0.7468 Intermediate Similarity NPD8289 Discontinued
0.7456 Intermediate Similarity NPD5612 Discontinued
0.7455 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD7001 Phase 3
0.7436 Intermediate Similarity NPD8430 Approved
0.7436 Intermediate Similarity NPD8292 Phase 2
0.7431 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD8000 Clinical (unspecified phase)
0.7418 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD8016 Phase 3
0.7417 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD8356 Approved
0.7412 Intermediate Similarity NPD8112 Clinical (unspecified phase)
0.7406 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7406 Intermediate Similarity NPD2094 Phase 2
0.7406 Intermediate Similarity NPD2095 Phase 2
0.7406 Intermediate Similarity NPD2092 Phase 2
0.7401 Intermediate Similarity NPD8458 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7393 Intermediate Similarity NPD6595 Phase 3
0.7391 Intermediate Similarity NPD7393 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD7619 Phase 3
0.7385 Intermediate Similarity NPD7618 Phase 3
0.7384 Intermediate Similarity NPD4885 Approved
0.7371 Intermediate Similarity NPD2091 Phase 2
0.7371 Intermediate Similarity NPD2096 Phase 2
0.7368 Intermediate Similarity NPD8488 Clinical (unspecified phase)
0.7336 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD7712 Clinical (unspecified phase)
0.7309 Intermediate Similarity NPD8279 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD5065 Approved
0.7269 Intermediate Similarity NPD8247 Approved
0.7269 Intermediate Similarity NPD8246 Approved
0.726 Intermediate Similarity NPD802 Phase 2
0.7257 Intermediate Similarity NPD5559 Phase 2
0.7253 Intermediate Similarity NPD6242 Discontinued
0.7244 Intermediate Similarity NPD5901 Discontinued
0.7235 Intermediate Similarity NPD8525 Approved
0.7232 Intermediate Similarity NPD8073 Approved
0.7229 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD6376 Discontinued
0.7224 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD4845 Discontinued
0.7215 Intermediate Similarity NPD6165 Phase 2
0.7215 Intermediate Similarity NPD6665 Discontinued
0.7215 Intermediate Similarity NPD6164 Phase 2
0.7212 Intermediate Similarity NPD6732 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD482 Approved
0.72 Intermediate Similarity NPD8072 Approved
0.7182 Intermediate Similarity NPD1038 Approved
0.7177 Intermediate Similarity NPD5482 Discontinued
0.7173 Intermediate Similarity NPD7426 Phase 1
0.7172 Intermediate Similarity NPD7576 Discontinued
0.717 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD8098 Approved
0.7162 Intermediate Similarity NPD7825 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD8363 Approved
0.716 Intermediate Similarity NPD8364 Approved
0.7156 Intermediate Similarity NPD6965 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD6975 Discontinued
0.7148 Intermediate Similarity NPD8459 Approved
0.7148 Intermediate Similarity NPD8460 Approved
0.7143 Intermediate Similarity NPD8091 Phase 3
0.7125 Intermediate Similarity NPD8106 Phase 2
0.7111 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD4511 Phase 1
0.7104 Intermediate Similarity NPD7689 Approved
0.7104 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD8096 Phase 3
0.71 Intermediate Similarity NPD3330 Phase 1
0.71 Intermediate Similarity NPD8097 Phase 3
0.7093 Intermediate Similarity NPD8115 Approved
0.7093 Intermediate Similarity NPD8114 Approved
0.7089 Intermediate Similarity NPD7716 Approved
0.7089 Intermediate Similarity NPD7717 Approved
0.7085 Intermediate Similarity NPD7921 Approved
0.7078 Intermediate Similarity NPD7853 Phase 2
0.7075 Intermediate Similarity NPD750 Phase 2
0.707 Intermediate Similarity NPD6456 Discontinued
0.7069 Intermediate Similarity NPD3243 Approved
0.7064 Intermediate Similarity NPD7203 Clinical (unspecified phase)
0.7061 Intermediate Similarity NPD8427 Approved
0.7061 Intermediate Similarity NPD8429 Approved
0.7061 Intermediate Similarity NPD8428 Approved
0.7061 Intermediate Similarity NPD8466 Approved
0.7061 Intermediate Similarity NPD8467 Approved
0.7061 Intermediate Similarity NPD8465 Approved
0.7054 Intermediate Similarity NPD7777 Approved
0.7054 Intermediate Similarity NPD7778 Approved
0.7054 Intermediate Similarity NPD53 Approved
0.7052 Intermediate Similarity NPD7859 Phase 2
0.7042 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD7818 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD3961 Discontinued
0.7031 Intermediate Similarity NPD7222 Phase 2
0.7027 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7026 Intermediate Similarity NPD4852 Phase 2
0.7025 Intermediate Similarity NPD3746 Discontinued
0.7024 Intermediate Similarity NPD8463 Approved
0.7022 Intermediate Similarity NPD3814 Phase 1
0.7021 Intermediate Similarity NPD8109 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD6531 Approved
0.702 Intermediate Similarity NPD6530 Approved
0.7009 Intermediate Similarity NPD7112 Discontinued
0.7 Intermediate Similarity NPD2510 Approved
0.7 Intermediate Similarity NPD4558 Phase 2
0.7 Intermediate Similarity NPD2509 Approved
0.7 Intermediate Similarity NPD4086 Phase 1
0.6996 Remote Similarity NPD7415 Suspended
0.6992 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6991 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6987 Remote Similarity NPD8403 Phase 1
0.698 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6977 Remote Similarity NPD6159 Phase 2
0.6969 Remote Similarity NPD8255 Phase 2
0.696 Remote Similarity NPD8358 Approved
0.6957 Remote Similarity NPD7452 Approved
0.6957 Remote Similarity NPD7453 Approved
0.6955 Remote Similarity NPD8425 Approved
0.6955 Remote Similarity NPD8426 Approved
0.6935 Remote Similarity NPD3914 Clinical (unspecified phase)
0.6933 Remote Similarity NPD6664 Approved
0.6929 Remote Similarity NPD6977 Clinical (unspecified phase)
0.6929 Remote Similarity NPD7994 Phase 2
0.6929 Remote Similarity NPD6978 Phase 2
0.6917 Remote Similarity NPD6976 Clinical (unspecified phase)
0.6914 Remote Similarity NPD7688 Phase 1
0.691 Remote Similarity NPD5066 Phase 2
0.691 Remote Similarity NPD5067 Phase 2
0.6907 Remote Similarity NPD8256 Approved
0.6907 Remote Similarity NPD8258 Clinical (unspecified phase)
0.6907 Remote Similarity NPD8257 Approved
0.6905 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6904 Remote Similarity NPD6995 Phase 1
0.689 Remote Similarity NPD8370 Discontinued
0.6886 Remote Similarity NPD7817 Phase 1
0.6883 Remote Similarity NPD1392 Approved
0.6878 Remote Similarity NPD7878 Phase 2
0.6872 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6872 Remote Similarity NPD7589 Clinical (unspecified phase)
0.687 Remote Similarity NPD3006 Discontinued

Structure

External Identifiers

PubChem CID   45485349
ChEMBL   CHEMBL576465
ZINC  

Physicochemical Properties

Molecular Weight:  1347.68
ALogP:  -4.8506
MLogP:  6.08
XLogP:  8.076
# Rotatable Bonds:  36
Polar Surface Area:  479.61
# H-Bond Aceptor:  27
# H-Bond Donor:  17
# Rings:  8
# Heavy Atoms:  98

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Similar NPs/Drugs