Natural Product: NPC314882

Natural Product ID:  NPC314882
Common Name:   Pacidamycin
IUPAC Name:   (2S)-2-[[(2S)-1-[[(2S,3S)-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-1-[[(2R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methylamino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Synonyms:  
Molecular Formula:   C38H47N9O11
Standard InCHIKey:  HKPRQZOLLXYDJX-KOGPLRHPSA-N
Standard InCHI:  InChI=1S/C38H47N9O11/c1-19(42-37(56)43-28(36(54)55)15-22-17-40-27-7-5-4-6-25(22)27)32(51)45-31(20(2)46(3)34(53)26(39)14-21-8-10-23(48)11-9-21)33(52)41-18-24-16-29(49)35(58-24)47-13-12-30(50)44-38(47)57/h4-13,17,19-20,24,26,28-29,31,35,40,48-49H,14-16,18,39H2,1-3H3,(H,41,52)(H,45,51)(H,54,55)(H2,42,43,56)(H,44,50,57)/t19-,20-,24+,26-,28-,29+,31-,35+/m0/s1
Canonical SMILES:  OC(=N[C@H](C(=N[C@@H]([C@@H](N(C(=O)[C@H](Cc1ccc(cc1)O)N)C)C)C(=NC[C@@H]1O[C@H]([C@@H](C1)O)n1ccc(nc1=O)O)O)O)C)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2
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
NPO359.5 Streptomyces coeruleorubidus ab 1183-f-64 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO359.12 Streptomyces coeruleorubidus nrrl 18370 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO359.6 Streptomyces coeruleorubidus ab11383f-64 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO20899 Streptomyces lividans Species Streptomycetaceae Bacteria StreptomeDB*
NPO359 Streptomyces coeruleorubidus Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC > 30 ug/ml 12951115
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 16 ug/ml 12951115
NPT19 Organism Escherichia coli Escherichia coli MIC = 256 ug/ml 12951115
NPT746 Organism Pasteurella multocida Pasteurella multocida MIC = 128 ug/ml 12951115

  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 NPC314882 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
0.9563 High Similarity NPC478006
0.9485 High Similarity NPC315467
0.9444 High Similarity NPC478009
0.9359 High Similarity NPC314056
0.928 High Similarity NPC478010
0.9247 High Similarity NPC478011
0.9241 High Similarity NPC478013
0.9208 High Similarity NPC314176
0.9148 High Similarity NPC89987
0.9087 High Similarity NPC478012
0.8795 High Similarity NPC125597
0.8772 High Similarity NPC323752
0.8756 High Similarity NPC24370
0.8756 High Similarity NPC319232
0.8661 High Similarity NPC473317
0.8609 High Similarity NPC220852
0.8578 High Similarity NPC28945
0.8578 High Similarity NPC285343
0.8478 Intermediate Similarity NPC326363
0.8333 Intermediate Similarity NPC325976
0.8311 Intermediate Similarity NPC478157
0.8282 Intermediate Similarity NPC281049
0.8267 Intermediate Similarity NPC54744
0.8261 Intermediate Similarity NPC64216
0.8251 Intermediate Similarity NPC478158
0.8223 Intermediate Similarity NPC477630
0.8223 Intermediate Similarity NPC477635
0.8162 Intermediate Similarity NPC322135
0.8136 Intermediate Similarity NPC323198
0.812 Intermediate Similarity NPC100547
0.8085 Intermediate Similarity NPC223409
0.8085 Intermediate Similarity NPC95240
0.8077 Intermediate Similarity NPC124920
0.8077 Intermediate Similarity NPC304307
0.8077 Intermediate Similarity NPC261251
0.8077 Intermediate Similarity NPC118559
0.8077 Intermediate Similarity NPC34580
0.8051 Intermediate Similarity NPC14288
0.8034 Intermediate Similarity NPC214142
0.8018 Intermediate Similarity NPC320968
0.8017 Intermediate Similarity NPC54803
0.8017 Intermediate Similarity NPC321592
0.8 Intermediate Similarity NPC82472
0.7982 Intermediate Similarity NPC75634
0.7982 Intermediate Similarity NPC476874
0.7969 Intermediate Similarity NPC477633
0.7935 Intermediate Similarity NPC153400
0.7931 Intermediate Similarity NPC313804
0.7931 Intermediate Similarity NPC315804
0.793 Intermediate Similarity NPC162860
0.7911 Intermediate Similarity NPC473376
0.7908 Intermediate Similarity NPC284888
0.7875 Intermediate Similarity NPC245055
0.7875 Intermediate Similarity NPC33064
0.7848 Intermediate Similarity NPC323244
0.7841 Intermediate Similarity NPC54420
0.7828 Intermediate Similarity NPC171393
0.7828 Intermediate Similarity NPC295452
0.7799 Intermediate Similarity NPC477634
0.7792 Intermediate Similarity NPC328924
0.7773 Intermediate Similarity NPC244536
0.7773 Intermediate Similarity NPC186351
0.7737 Intermediate Similarity NPC184680
0.7705 Intermediate Similarity NPC470784
0.7705 Intermediate Similarity NPC470785
0.7699 Intermediate Similarity NPC475506
0.7695 Intermediate Similarity NPC272549
0.7692 Intermediate Similarity NPC321939
0.7686 Intermediate Similarity NPC88008
0.7665 Intermediate Similarity NPC193761
0.7665 Intermediate Similarity NPC155143
0.7664 Intermediate Similarity NPC184225
0.766 Intermediate Similarity NPC303658
0.7655 Intermediate Similarity NPC315491
0.7655 Intermediate Similarity NPC45459
0.765 Intermediate Similarity NPC74969
0.761 Intermediate Similarity NPC181081
0.7592 Intermediate Similarity NPC15801
0.7566 Intermediate Similarity NPC473640
0.7551 Intermediate Similarity NPC477549
0.7543 Intermediate Similarity NPC223791
0.7543 Intermediate Similarity NPC107077
0.7533 Intermediate Similarity NPC100321
0.7532 Intermediate Similarity NPC316403
0.7531 Intermediate Similarity NPC474877
0.7531 Intermediate Similarity NPC475969
0.7531 Intermediate Similarity NPC475859
0.7521 Intermediate Similarity NPC194740
0.7511 Intermediate Similarity NPC264285
0.749 Intermediate Similarity NPC470730
0.749 Intermediate Similarity NPC478029
0.749 Intermediate Similarity NPC477176
0.749 Intermediate Similarity NPC477175
0.749 Intermediate Similarity NPC470729
0.7489 Intermediate Similarity NPC306376
0.7489 Intermediate Similarity NPC171317
0.7489 Intermediate Similarity NPC229348
0.7478 Intermediate Similarity NPC476098
0.747 Intermediate Similarity NPC14812
0.7469 Intermediate Similarity NPC63279
0.7468 Intermediate Similarity NPC472285
0.7459 Intermediate Similarity NPC477177
0.7456 Intermediate Similarity NPC293917
0.7449 Intermediate Similarity NPC191382
0.7449 Intermediate Similarity NPC56109
0.7448 Intermediate Similarity NPC478007
0.7439 Intermediate Similarity NPC297642
0.7429 Intermediate Similarity NPC165743
0.7426 Intermediate Similarity NPC471192
0.7424 Intermediate Similarity NPC470497
0.7423 Intermediate Similarity NPC242872
0.7423 Intermediate Similarity NPC263117
0.7423 Intermediate Similarity NPC125181
0.7418 Intermediate Similarity NPC69843
0.7409 Intermediate Similarity NPC478028
0.7399 Intermediate Similarity NPC17059
0.7386 Intermediate Similarity NPC478008
0.7386 Intermediate Similarity NPC16352
0.7386 Intermediate Similarity NPC155444
0.7373 Intermediate Similarity NPC471194
0.7373 Intermediate Similarity NPC153980
0.7373 Intermediate Similarity NPC471193
0.7373 Intermediate Similarity NPC6865
0.7371 Intermediate Similarity NPC470500
0.7368 Intermediate Similarity NPC156704
0.7366 Intermediate Similarity NPC213629
0.7364 Intermediate Similarity NPC74619
0.7364 Intermediate Similarity NPC477714
0.7362 Intermediate Similarity NPC5145
0.7354 Intermediate Similarity NPC94752
0.735 Intermediate Similarity NPC478005
0.7349 Intermediate Similarity NPC474183
0.7348 Intermediate Similarity NPC213308
0.7345 Intermediate Similarity NPC99666
0.7344 Intermediate Similarity NPC60621
0.7344 Intermediate Similarity NPC474896
0.7338 Intermediate Similarity NPC117980
0.7336 Intermediate Similarity NPC470499
0.7331 Intermediate Similarity NPC72956
0.7325 Intermediate Similarity NPC474196
0.7322 Intermediate Similarity NPC477715
0.7322 Intermediate Similarity NPC305984
0.7314 Intermediate Similarity NPC31097
0.7314 Intermediate Similarity NPC220851
0.7311 Intermediate Similarity NPC313640
0.7308 Intermediate Similarity NPC323927
0.7306 Intermediate Similarity NPC33949
0.7303 Intermediate Similarity NPC272174
0.73 Intermediate Similarity NPC207020
0.7289 Intermediate Similarity NPC321708
0.728 Intermediate Similarity NPC330009
0.7269 Intermediate Similarity NPC471080
0.7269 Intermediate Similarity NPC469592
0.7269 Intermediate Similarity NPC266931
0.7265 Intermediate Similarity NPC228835
0.7259 Intermediate Similarity NPC475746
0.725 Intermediate Similarity NPC238945
0.7249 Intermediate Similarity NPC242209
0.7246 Intermediate Similarity NPC61038
0.7233 Intermediate Similarity NPC477109
0.7233 Intermediate Similarity NPC316224
0.7233 Intermediate Similarity NPC477108
0.7233 Intermediate Similarity NPC477107
0.7227 Intermediate Similarity NPC31385
0.7227 Intermediate Similarity NPC110602
0.7227 Intermediate Similarity NPC75726
0.722 Intermediate Similarity NPC469594
0.7213 Intermediate Similarity NPC475271
0.7211 Intermediate Similarity NPC41679
0.7208 Intermediate Similarity NPC469928
0.7205 Intermediate Similarity NPC78609
0.72 Intermediate Similarity NPC315555
0.72 Intermediate Similarity NPC235684
0.7196 Intermediate Similarity NPC260909
0.7194 Intermediate Similarity NPC17487
0.7194 Intermediate Similarity NPC201831
0.7191 Intermediate Similarity NPC175602
0.719 Intermediate Similarity NPC269270
0.7185 Intermediate Similarity NPC82370
0.7178 Intermediate Similarity NPC312645
0.7176 Intermediate Similarity NPC178858
0.7168 Intermediate Similarity NPC46580
0.7167 Intermediate Similarity NPC471944
0.7167 Intermediate Similarity NPC300183
0.7166 Intermediate Similarity NPC471762
0.7165 Intermediate Similarity NPC472436
0.7163 Intermediate Similarity NPC315499
0.7162 Intermediate Similarity NPC126709
0.7162 Intermediate Similarity NPC248041
0.7162 Intermediate Similarity NPC283219
0.7162 Intermediate Similarity NPC11126
0.7161 Intermediate Similarity NPC270918
0.716 Intermediate Similarity NPC182222
0.716 Intermediate Similarity NPC14686
0.716 Intermediate Similarity NPC474195
0.716 Intermediate Similarity NPC276657
0.7149 Intermediate Similarity NPC475070
0.7149 Intermediate Similarity NPC475736
0.7137 Intermediate Similarity NPC36405
0.7137 Intermediate Similarity NPC322064

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314882 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
0.8444 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.8018 Intermediate Similarity NPD7470 Discontinued
0.7922 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.792 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD7603 Discontinued
0.7773 Intermediate Similarity NPD8430 Approved
0.7773 Intermediate Similarity NPD4086 Phase 1
0.7754 Intermediate Similarity NPD8356 Approved
0.7706 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7682 Intermediate Similarity NPD7970 Approved
0.7682 Intermediate Similarity NPD7971 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD7948 Phase 1
0.7655 Intermediate Similarity NPD484 Approved
0.7625 Intermediate Similarity NPD8292 Phase 2
0.7607 Intermediate Similarity NPD8112 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5612 Discontinued
0.7481 Intermediate Similarity NPD7689 Approved
0.7468 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD8421 Discontinued
0.7456 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD7781 Approved
0.7449 Intermediate Similarity NPD7780 Approved
0.7434 Intermediate Similarity NPD7944 Discontinued
0.7414 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD7558 Phase 2
0.7389 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7382 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD8093 Discontinued
0.7373 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD4885 Approved
0.7342 Intermediate Similarity NPD8094 Discontinued
0.7328 Intermediate Similarity NPD7951 Approved
0.7328 Intermediate Similarity NPD7950 Approved
0.7328 Intermediate Similarity NPD7789 Approved
0.7328 Intermediate Similarity NPD7790 Approved
0.7328 Intermediate Similarity NPD7953 Approved
0.7328 Intermediate Similarity NPD7791 Approved
0.7328 Intermediate Similarity NPD7952 Approved
0.7296 Intermediate Similarity NPD8272 Phase 2
0.7288 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD8119 Discontinued
0.7273 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD7731 Approved
0.7265 Intermediate Similarity NPD7730 Approved
0.7258 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD4558 Phase 2
0.7251 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD8271 Discontinued
0.7249 Intermediate Similarity NPD7181 Phase 3
0.7229 Intermediate Similarity NPD3814 Phase 1
0.7228 Intermediate Similarity NPD7655 Discontinued
0.7222 Intermediate Similarity NPD5901 Discontinued
0.722 Intermediate Similarity NPD8255 Phase 2
0.7206 Intermediate Similarity NPD7824 Approved
0.7206 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD8460 Approved
0.7196 Intermediate Similarity NPD8459 Approved
0.7194 Intermediate Similarity NPD8524 Approved
0.7191 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD6732 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD7001 Phase 3
0.7191 Intermediate Similarity NPD7957 Phase 1
0.7184 Intermediate Similarity NPD7271 Approved
0.7181 Intermediate Similarity NPD8442 Discontinued
0.7167 Intermediate Similarity NPD4897 Phase 2
0.7166 Intermediate Similarity NPD5559 Phase 2
0.716 Intermediate Similarity NPD5482 Discontinued
0.7154 Intermediate Similarity NPD8289 Discontinued
0.7148 Intermediate Similarity NPD8250 Phase 2
0.7143 Intermediate Similarity NPD8364 Approved
0.7143 Intermediate Similarity NPD8370 Discontinued
0.7143 Intermediate Similarity NPD2092 Phase 2
0.7143 Intermediate Similarity NPD2095 Phase 2
0.7143 Intermediate Similarity NPD2094 Phase 2
0.7143 Intermediate Similarity NPD4900 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8363 Approved
0.7138 Intermediate Similarity NPD8349 Phase 1
0.7131 Intermediate Similarity NPD7726 Phase 1
0.7126 Intermediate Similarity NPD6165 Phase 2
0.7126 Intermediate Similarity NPD6164 Phase 2
0.7113 Intermediate Similarity NPD5066 Phase 2
0.7113 Intermediate Similarity NPD5067 Phase 2
0.7111 Intermediate Similarity NPD8429 Approved
0.7111 Intermediate Similarity NPD8428 Approved
0.7111 Intermediate Similarity NPD8467 Approved
0.7111 Intermediate Similarity NPD8427 Approved
0.7111 Intermediate Similarity NPD8465 Approved
0.7111 Intermediate Similarity NPD8466 Approved
0.7111 Intermediate Similarity NPD2091 Phase 2
0.7111 Intermediate Similarity NPD2096 Phase 2
0.7108 Intermediate Similarity NPD8106 Phase 2
0.7094 Intermediate Similarity NPD8284 Discontinued
0.7094 Intermediate Similarity NPD4511 Phase 1
0.7091 Intermediate Similarity NPD8525 Approved
0.709 Intermediate Similarity NPD6242 Discontinued
0.709 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD1392 Approved
0.7085 Intermediate Similarity NPD7426 Phase 1
0.7076 Intermediate Similarity NPD7712 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6753 Phase 1
0.7073 Intermediate Similarity NPD6752 Phase 1
0.7067 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD5018 Phase 3
0.7063 Intermediate Similarity NPD4454 Phase 2
0.7059 Intermediate Similarity NPD2510 Approved
0.7059 Intermediate Similarity NPD2509 Approved
0.7059 Intermediate Similarity NPD6517 Phase 3
0.7057 Intermediate Similarity NPD8310 Clinical (unspecified phase)
0.7046 Intermediate Similarity NPD3003 Approved
0.7043 Intermediate Similarity NPD6665 Discontinued
0.7043 Intermediate Similarity NPD7486 Phase 1
0.704 Intermediate Similarity NPD8372 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7980 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD8072 Approved
0.7027 Intermediate Similarity NPD482 Approved
0.7026 Intermediate Similarity NPD7818 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5149 Phase 2
0.7025 Intermediate Similarity NPD5148 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD7817 Phase 1
0.702 Intermediate Similarity NPD7576 Discontinued
0.7017 Intermediate Similarity NPD8322 Phase 2
0.7016 Intermediate Similarity NPD7711 Discontinued
0.7012 Intermediate Similarity NPD3918 Approved
0.7012 Intermediate Similarity NPD3917 Approved
0.7012 Intermediate Similarity NPD7797 Approved
0.7012 Intermediate Similarity NPD3916 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD3330 Phase 1
0.7012 Intermediate Similarity NPD7796 Approved
0.7011 Intermediate Similarity NPD5532 Phase 2
0.7011 Intermediate Similarity NPD8463 Approved
0.7008 Intermediate Similarity NPD5632 Approved
0.7007 Intermediate Similarity NPD8426 Approved
0.7007 Intermediate Similarity NPD8425 Approved
0.7 Intermediate Similarity NPD7825 Clinical (unspecified phase)
0.6996 Remote Similarity NPD7853 Phase 2
0.6996 Remote Similarity NPD5003 Discontinued
0.6996 Remote Similarity NPD749 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5507 Approved
0.6992 Remote Similarity NPD8073 Approved
0.6992 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5506 Approved
0.6988 Remote Similarity NPD4845 Discontinued
0.6985 Remote Similarity NPD8247 Approved
0.6985 Remote Similarity NPD8246 Approved
0.6983 Remote Similarity NPD7618 Phase 3
0.6983 Remote Similarity NPD7619 Phase 3
0.6975 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6972 Remote Similarity NPD7688 Phase 1
0.6971 Remote Similarity NPD3915 Approved
0.6966 Remote Similarity NPD7273 Clinical (unspecified phase)
0.6962 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6955 Remote Similarity NPD5903 Approved
0.6955 Remote Similarity NPD5902 Approved
0.6946 Remote Similarity NPD8410 Clinical (unspecified phase)
0.6944 Remote Similarity NPD3960 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6141 Clinical (unspecified phase)
0.6942 Remote Similarity NPD8458 Clinical (unspecified phase)
0.6942 Remote Similarity NPD7069 Discontinued
0.6933 Remote Similarity NPD8169 Discontinued
0.6929 Remote Similarity NPD6456 Discontinued
0.6929 Remote Similarity NPD3006 Discontinued
0.6926 Remote Similarity NPD3389 Approved
0.6926 Remote Similarity NPD3394 Approved
0.6926 Remote Similarity NPD3393 Approved
0.6926 Remote Similarity NPD7112 Discontinued
0.6923 Remote Similarity NPD6351 Discovery
0.6917 Remote Similarity NPD2916 Discontinued
0.6917 Remote Similarity NPD4080 Discontinued
0.6914 Remote Similarity NPD3243 Approved
0.6914 Remote Similarity NPD8488 Clinical (unspecified phase)
0.6911 Remote Similarity NPD4555 Clinical (unspecified phase)
0.6908 Remote Similarity NPD6724 Clinical (unspecified phase)
0.6907 Remote Similarity NPD4601 Approved
0.6907 Remote Similarity NPD4600 Approved
0.6906 Remote Similarity NPD750 Phase 2
0.6906 Remote Similarity NPD7955 Approved
0.6906 Remote Similarity NPD7956 Approved
0.6903 Remote Similarity NPD5450 Discontinued
0.6903 Remote Similarity NPD6595 Phase 3
0.6894 Remote Similarity NPD7777 Approved
0.6894 Remote Similarity NPD7778 Approved
0.6894 Remote Similarity NPD53 Approved
0.6891 Remote Similarity NPD5487 Phase 1
0.6875 Remote Similarity NPD7729 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6154 Approved
0.6867 Remote Similarity NPD1304 Clinical (unspecified phase)
0.6867 Remote Similarity NPD7547 Clinical (unspecified phase)
0.6867 Remote Similarity NPD1038 Approved
0.6864 Remote Similarity NPD6248 Phase 2
0.6864 Remote Similarity NPD6249 Phase 2
0.6862 Remote Similarity NPD5426 Phase 3
0.686 Remote Similarity NPD3914 Clinical (unspecified phase)
0.686 Remote Similarity NPD6473 Phase 1
0.686 Remote Similarity NPD6716 Phase 1
0.686 Remote Similarity NPD8321 Discontinued
0.6856 Remote Similarity NPD6344 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44340968
ChEMBL   CHEMBL419386
ZINC  

Physicochemical Properties

Molecular Weight:  805.34
ALogP:  -5.1797
MLogP:  3.44
XLogP:  -1.371
# Rotatable Bonds:  29
Polar Surface Area:  311.81
# H-Bond Aceptor:  19
# H-Bond Donor:  10
# Rings:  5
# Heavy Atoms:  58

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Biological Activities  
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