Natural Product: NPC54744

Natural Product ID:  NPC54744
Common Name:   Kahalalide D
IUPAC Name:   2-[3-[(3R,7S,10S,13S)-3-(1H-indol-3-ylmethyl)-7-(4-methylpentyl)-2,5,9,12-tetraoxo-8-oxa-1,4,11-triazabicyclo[11.3.0]hexadecan-10-yl]propyl]guanidine
Synonyms:   Kahalalide D
Molecular Formula:   C31H45N7O5
Standard InCHIKey:  KIIFEJGTOKNNQA-MRLUPLGUSA-N
Standard InCHI:  InChI=1S/C31H45N7O5/c1-19(2)8-5-9-21-17-27(39)36-25(16-20-18-35-23-11-4-3-10-22(20)23)29(41)38-15-7-13-26(38)28(40)37-24(30(42)43-21)12-6-14-34-31(32)33/h3-4,10-11,18-19,21,24-26,35H,5-9,12-17H2,1-2H3,(H,36,39)(H,37,40)(H4,32,33,34)/t21-,24-,25+,26-/m0/s1
Canonical SMILES:  CC(CCC[C@@H]1OC(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H]2N(C(=O)[C@H](N=C(C1)O)Cc1c[nH]c3c1cccc3)CCC2)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
NPO25933 Elysia rufescens Species Placobranchidae Eukaryota Hawaiian PMID[18407693]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus IC50 > 33570 nM 23252603
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 49 % 10.6019/CHEMBL1201861
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans IC50 > 33570 nM 12088445
NPT86 Organism Mycobacterium intracellulare Mycobacterium intracellulare IC50 > 33570 nM 18973387
NPT20 Organism Candida albicans Candida albicans IC50 > 33570 nM DrugMatrix in vivo data: Hematology

  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 NPC54744 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
0.9577 High Similarity NPC473376
0.9378 High Similarity NPC478158
0.9184 High Similarity NPC320968
0.9141 High Similarity NPC478157
0.9064 High Similarity NPC64216
0.8852 High Similarity NPC89987
0.8836 High Similarity NPC213629
0.8818 High Similarity NPC281049
0.8794 High Similarity NPC162860
0.8724 High Similarity NPC475506
0.8718 High Similarity NPC293917
0.8693 High Similarity NPC54420
0.868 High Similarity NPC155143
0.8667 High Similarity NPC171317
0.8663 High Similarity NPC75634
0.8571 High Similarity NPC473640
0.8528 High Similarity NPC100321
0.8515 High Similarity NPC223791
0.8515 High Similarity NPC107077
0.8492 Intermediate Similarity NPC476874
0.849 Intermediate Similarity NPC17059
0.8438 Intermediate Similarity NPC235684
0.8351 Intermediate Similarity NPC321708
0.8342 Intermediate Similarity NPC94752
0.8333 Intermediate Similarity NPC228835
0.8316 Intermediate Similarity NPC283219
0.8316 Intermediate Similarity NPC248041
0.8316 Intermediate Similarity NPC126709
0.8308 Intermediate Similarity NPC193761
0.8307 Intermediate Similarity NPC267885
0.8267 Intermediate Similarity NPC314882
0.8263 Intermediate Similarity NPC145885
0.8263 Intermediate Similarity NPC84827
0.8263 Intermediate Similarity NPC24370
0.8263 Intermediate Similarity NPC14113
0.8263 Intermediate Similarity NPC319232
0.8254 Intermediate Similarity NPC149155
0.8254 Intermediate Similarity NPC203468
0.8254 Intermediate Similarity NPC110500
0.8216 Intermediate Similarity NPC125597
0.8216 Intermediate Similarity NPC474196
0.8173 Intermediate Similarity NPC229348
0.8173 Intermediate Similarity NPC117244
0.8173 Intermediate Similarity NPC473763
0.8148 Intermediate Similarity NPC69843
0.8125 Intermediate Similarity NPC11126
0.8119 Intermediate Similarity NPC323752
0.8113 Intermediate Similarity NPC474195
0.8104 Intermediate Similarity NPC475736
0.8083 Intermediate Similarity NPC91179
0.8075 Intermediate Similarity NPC473317
0.8054 Intermediate Similarity NPC478029
0.8048 Intermediate Similarity NPC313640
0.8043 Intermediate Similarity NPC478006
0.8042 Intermediate Similarity NPC78020
0.8026 Intermediate Similarity NPC125181
0.8026 Intermediate Similarity NPC242872
0.8026 Intermediate Similarity NPC263117
0.8019 Intermediate Similarity NPC477714
0.799 Intermediate Similarity NPC243716
0.7989 Intermediate Similarity NPC160105
0.7964 Intermediate Similarity NPC478028
0.7955 Intermediate Similarity NPC220852
0.7952 Intermediate Similarity NPC6865
0.7952 Intermediate Similarity NPC153980
0.7952 Intermediate Similarity NPC31385
0.7952 Intermediate Similarity NPC75726
0.7952 Intermediate Similarity NPC110602
0.7945 Intermediate Similarity NPC475969
0.7945 Intermediate Similarity NPC475859
0.7945 Intermediate Similarity NPC474877
0.7925 Intermediate Similarity NPC471192
0.7915 Intermediate Similarity NPC315467
0.7905 Intermediate Similarity NPC72956
0.7902 Intermediate Similarity NPC300183
0.79 Intermediate Similarity NPC470729
0.79 Intermediate Similarity NPC477175
0.79 Intermediate Similarity NPC477176
0.79 Intermediate Similarity NPC470730
0.7897 Intermediate Similarity NPC469896
0.7887 Intermediate Similarity NPC477715
0.7882 Intermediate Similarity NPC262898
0.7879 Intermediate Similarity NPC315555
0.7873 Intermediate Similarity NPC63279
0.7872 Intermediate Similarity NPC314056
0.7871 Intermediate Similarity NPC294693
0.787 Intermediate Similarity NPC155444
0.7868 Intermediate Similarity NPC165495
0.7867 Intermediate Similarity NPC471193
0.7867 Intermediate Similarity NPC471194
0.7864 Intermediate Similarity NPC477177
0.7854 Intermediate Similarity NPC191382
0.7854 Intermediate Similarity NPC56109
0.7848 Intermediate Similarity NPC28945
0.7848 Intermediate Similarity NPC285343
0.7846 Intermediate Similarity NPC213468
0.7846 Intermediate Similarity NPC219336
0.7846 Intermediate Similarity NPC55772
0.7838 Intermediate Similarity NPC297642
0.7833 Intermediate Similarity NPC179701
0.7828 Intermediate Similarity NPC165743
0.7824 Intermediate Similarity NPC314603
0.7806 Intermediate Similarity NPC478009
0.7806 Intermediate Similarity NPC16659
0.7806 Intermediate Similarity NPC478010
0.78 Intermediate Similarity NPC175474
0.7795 Intermediate Similarity NPC473380
0.7795 Intermediate Similarity NPC183662
0.7795 Intermediate Similarity NPC240088
0.7795 Intermediate Similarity NPC15573
0.7795 Intermediate Similarity NPC217372
0.7792 Intermediate Similarity NPC321939
0.7789 Intermediate Similarity NPC311276
0.7784 Intermediate Similarity NPC469938
0.7773 Intermediate Similarity NPC478013
0.7767 Intermediate Similarity NPC470497
0.7766 Intermediate Similarity NPC71037
0.7756 Intermediate Similarity NPC474389
0.7756 Intermediate Similarity NPC470499
0.7755 Intermediate Similarity NPC265710
0.7751 Intermediate Similarity NPC277350
0.7739 Intermediate Similarity NPC477630
0.7739 Intermediate Similarity NPC477635
0.7738 Intermediate Similarity NPC326363
0.7736 Intermediate Similarity NPC54981
0.7727 Intermediate Similarity NPC476491
0.7721 Intermediate Similarity NPC238945
0.7714 Intermediate Similarity NPC323927
0.7709 Intermediate Similarity NPC201831
0.7709 Intermediate Similarity NPC17487
0.7708 Intermediate Similarity NPC474561
0.7708 Intermediate Similarity NPC49954
0.7704 Intermediate Similarity NPC111275
0.7681 Intermediate Similarity NPC195461
0.7681 Intermediate Similarity NPC313985
0.7681 Intermediate Similarity NPC81654
0.7681 Intermediate Similarity NPC249150
0.7681 Intermediate Similarity NPC49196
0.7681 Intermediate Similarity NPC79129
0.7677 Intermediate Similarity NPC233936
0.7675 Intermediate Similarity NPC477109
0.7675 Intermediate Similarity NPC477108
0.7675 Intermediate Similarity NPC477107
0.7674 Intermediate Similarity NPC470732
0.7674 Intermediate Similarity NPC470731
0.7645 Intermediate Similarity NPC478012
0.7645 Intermediate Similarity NPC478011
0.7638 Intermediate Similarity NPC469358
0.7621 Intermediate Similarity NPC227582
0.7617 Intermediate Similarity NPC54988
0.7617 Intermediate Similarity NPC207020
0.7614 Intermediate Similarity NPC59269
0.7614 Intermediate Similarity NPC64436
0.7613 Intermediate Similarity NPC314176
0.7612 Intermediate Similarity NPC62749
0.76 Intermediate Similarity NPC325976
0.7596 Intermediate Similarity NPC214428
0.7594 Intermediate Similarity NPC71238
0.7585 Intermediate Similarity NPC52557
0.7585 Intermediate Similarity NPC50503
0.7579 Intermediate Similarity NPC469762
0.7578 Intermediate Similarity NPC322135
0.7568 Intermediate Similarity NPC118559
0.7568 Intermediate Similarity NPC304307
0.7568 Intermediate Similarity NPC124920
0.7568 Intermediate Similarity NPC34580
0.7562 Intermediate Similarity NPC163421
0.7562 Intermediate Similarity NPC308931
0.7562 Intermediate Similarity NPC188387
0.7562 Intermediate Similarity NPC99939
0.7559 Intermediate Similarity NPC469743
0.7558 Intermediate Similarity NPC472285
0.7555 Intermediate Similarity NPC171393
0.7555 Intermediate Similarity NPC295452
0.7552 Intermediate Similarity NPC282231
0.7548 Intermediate Similarity NPC74413
0.7534 Intermediate Similarity NPC100547
0.7526 Intermediate Similarity NPC469785
0.7525 Intermediate Similarity NPC474707
0.7523 Intermediate Similarity NPC472762
0.7513 Intermediate Similarity NPC469763
0.7513 Intermediate Similarity NPC469786
0.7513 Intermediate Similarity NPC469760
0.7513 Intermediate Similarity NPC259644
0.7513 Intermediate Similarity NPC25008
0.7513 Intermediate Similarity NPC469765
0.7513 Intermediate Similarity NPC40779
0.7513 Intermediate Similarity NPC73952
0.7512 Intermediate Similarity NPC473342
0.7512 Intermediate Similarity NPC315491
0.7512 Intermediate Similarity NPC45459
0.7512 Intermediate Similarity NPC314957
0.7512 Intermediate Similarity NPC36405
0.7512 Intermediate Similarity NPC477167
0.7512 Intermediate Similarity NPC252338
0.75 Intermediate Similarity NPC95240
0.75 Intermediate Similarity NPC279918
0.75 Intermediate Similarity NPC223409
0.7489 Intermediate Similarity NPC261251
0.7488 Intermediate Similarity NPC82370

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC54744 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
0.898 High Similarity NPD8493 Clinical (unspecified phase)
0.8762 High Similarity NPD7971 Clinical (unspecified phase)
0.8762 High Similarity NPD7970 Approved
0.875 High Similarity NPD7809 Clinical (unspecified phase)
0.8718 High Similarity NPD7621 Clinical (unspecified phase)
0.8706 High Similarity NPD8013 Clinical (unspecified phase)
0.8614 High Similarity NPD7470 Discontinued
0.8442 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.8281 Intermediate Similarity NPD2095 Phase 2
0.8281 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.8281 Intermediate Similarity NPD2094 Phase 2
0.8281 Intermediate Similarity NPD2092 Phase 2
0.8254 Intermediate Similarity NPD482 Approved
0.8238 Intermediate Similarity NPD2091 Phase 2
0.8238 Intermediate Similarity NPD2096 Phase 2
0.823 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.8213 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.8211 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.8141 Intermediate Similarity NPD7944 Discontinued
0.8137 Intermediate Similarity NPD8272 Phase 2
0.8134 Intermediate Similarity NPD8112 Clinical (unspecified phase)
0.8105 Intermediate Similarity NPD750 Phase 2
0.8029 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7972 Intermediate Similarity NPD7730 Approved
0.7972 Intermediate Similarity NPD7731 Approved
0.7963 Intermediate Similarity NPD7271 Approved
0.7955 Intermediate Similarity NPD7791 Approved
0.7955 Intermediate Similarity NPD7953 Approved
0.7955 Intermediate Similarity NPD7952 Approved
0.7955 Intermediate Similarity NPD7951 Approved
0.7955 Intermediate Similarity NPD7950 Approved
0.7955 Intermediate Similarity NPD7789 Approved
0.7955 Intermediate Similarity NPD7790 Approved
0.7923 Intermediate Similarity NPD7957 Phase 1
0.7923 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.79 Intermediate Similarity NPD7824 Approved
0.7854 Intermediate Similarity NPD7780 Approved
0.7854 Intermediate Similarity NPD7781 Approved
0.785 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7837 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD7818 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD6595 Phase 3
0.7783 Intermediate Similarity NPD7619 Phase 3
0.7783 Intermediate Similarity NPD7618 Phase 3
0.7763 Intermediate Similarity NPD7711 Discontinued
0.774 Intermediate Similarity NPD8072 Approved
0.7721 Intermediate Similarity NPD8271 Discontinued
0.7707 Intermediate Similarity NPD6664 Approved
0.7689 Intermediate Similarity NPD7825 Clinical (unspecified phase)
0.7681 Intermediate Similarity NPD4601 Approved
0.7681 Intermediate Similarity NPD4600 Approved
0.7678 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD8322 Phase 2
0.7614 Intermediate Similarity NPD2144 Approved
0.7608 Intermediate Similarity NPD8073 Approved
0.7589 Intermediate Similarity NPD8119 Discontinued
0.7588 Intermediate Similarity NPD3038 Discontinued
0.7583 Intermediate Similarity NPD7001 Phase 3
0.7547 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7536 Intermediate Similarity NPD5426 Phase 3
0.7535 Intermediate Similarity NPD8458 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD5721 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD484 Approved
0.7512 Intermediate Similarity NPD2510 Approved
0.7512 Intermediate Similarity NPD2509 Approved
0.75 Intermediate Similarity NPD8488 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD8257 Approved
0.7477 Intermediate Similarity NPD8258 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD8256 Approved
0.7476 Intermediate Similarity NPD7817 Phase 1
0.7475 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD2880 Discontinued
0.7451 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD7603 Discontinued
0.7436 Intermediate Similarity NPD4174 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD6665 Discontinued
0.7419 Intermediate Similarity NPD8094 Discontinued
0.7402 Intermediate Similarity NPD3486 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD8000 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD8372 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD8410 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD6661 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD8093 Discontinued
0.7371 Intermediate Similarity NPD8169 Discontinued
0.7371 Intermediate Similarity NPD7712 Clinical (unspecified phase)
0.735 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6164 Phase 2
0.7333 Intermediate Similarity NPD6165 Phase 2
0.7324 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD3961 Discontinued
0.7317 Intermediate Similarity NPD8431 Approved
0.7313 Intermediate Similarity NPD8386 Phase 2
0.729 Intermediate Similarity NPD5901 Discontinued
0.7286 Intermediate Similarity NPD5003 Discontinued
0.7285 Intermediate Similarity NPD6578 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD7465 Suspended
0.7273 Intermediate Similarity NPD8641 Approved
0.7269 Intermediate Similarity NPD2442 Approved
0.7269 Intermediate Similarity NPD2443 Approved
0.7264 Intermediate Similarity NPD4500 Approved
0.7264 Intermediate Similarity NPD6479 Discontinued
0.7264 Intermediate Similarity NPD4501 Approved
0.7256 Intermediate Similarity NPD2008 Discontinued
0.7256 Intermediate Similarity NPD6732 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD5322 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD4499 Approved
0.7234 Intermediate Similarity NPD8375 Approved
0.7222 Intermediate Similarity NPD6328 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD8115 Approved
0.7209 Intermediate Similarity NPD8114 Approved
0.7202 Intermediate Similarity NPD5072 Discontinued
0.72 Intermediate Similarity NPD7717 Approved
0.72 Intermediate Similarity NPD7716 Approved
0.7198 Intermediate Similarity NPD7233 Approved
0.7198 Intermediate Similarity NPD7234 Approved
0.7196 Intermediate Similarity NPD6268 Phase 1
0.7196 Intermediate Similarity NPD6269 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD3389 Approved
0.7195 Intermediate Similarity NPD3393 Approved
0.7195 Intermediate Similarity NPD3394 Approved
0.719 Intermediate Similarity NPD4602 Approved
0.7188 Intermediate Similarity NPD6615 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD8292 Phase 2
0.7178 Intermediate Similarity NPD4181 Approved
0.7173 Intermediate Similarity NPD8371 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD276 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD4128 Approved
0.7163 Intermediate Similarity NPD6176 Phase 1
0.7162 Intermediate Similarity NPD5818 Discontinued
0.715 Intermediate Similarity NPD5017 Discontinued
0.715 Intermediate Similarity NPD7727 Phase 2
0.715 Intermediate Similarity NPD2009 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD3002 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4076 Approved
0.7143 Intermediate Similarity NPD4079 Approved
0.7137 Intermediate Similarity NPD7576 Discontinued
0.7137 Intermediate Similarity NPD8289 Discontinued
0.7136 Intermediate Similarity NPD2844 Phase 3
0.7136 Intermediate Similarity NPD6999 Discontinued
0.7136 Intermediate Similarity NPD2411 Approved
0.7136 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD6180 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD4075 Phase 2
0.7118 Intermediate Similarity NPD8374 Phase 3
0.7108 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD8026 Phase 1
0.7104 Intermediate Similarity NPD7557 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD5043 Discontinued
0.71 Intermediate Similarity NPD8047 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD3506 Approved
0.7094 Intermediate Similarity NPD3505 Approved
0.7091 Intermediate Similarity NPD3915 Approved
0.7087 Intermediate Similarity NPD8316 Phase 2
0.7087 Intermediate Similarity NPD8317 Phase 2
0.7087 Intermediate Similarity NPD7688 Phase 1
0.7085 Intermediate Similarity NPD5611 Phase 2
0.7085 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD2565 Phase 2
0.7081 Intermediate Similarity NPD2564 Approved
0.708 Intermediate Similarity NPD8356 Approved
0.7078 Intermediate Similarity NPD2408 Discontinued
0.7078 Intermediate Similarity NPD3968 Approved
0.7075 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD3178 Discontinued
0.7069 Intermediate Similarity NPD8329 Phase 3
0.7067 Intermediate Similarity NPD5884 Clinical (unspecified phase)
0.7061 Intermediate Similarity NPD8075 Discontinued
0.7059 Intermediate Similarity NPD8250 Phase 2
0.7059 Intermediate Similarity NPD3916 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3917 Approved
0.7059 Intermediate Similarity NPD3918 Approved
0.7051 Intermediate Similarity NPD3947 Discontinued
0.705 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD7948 Phase 1
0.7032 Intermediate Similarity NPD7665 Phase 2
0.7032 Intermediate Similarity NPD7666 Phase 3
0.7031 Intermediate Similarity NPD8430 Approved
0.7028 Intermediate Similarity NPD4427 Phase 2
0.7023 Intermediate Similarity NPD8248 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD7026 Phase 2
0.7019 Intermediate Similarity NPD6217 Discontinued
0.7017 Intermediate Similarity NPD8291 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD7865 Approved
0.7009 Intermediate Similarity NPD2787 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD7483 Phase 2
0.7005 Intermediate Similarity NPD6178 Phase 3
0.7005 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD5487 Phase 1
0.7005 Intermediate Similarity NPD7482 Phase 2
0.7004 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7689 Approved
0.7 Intermediate Similarity NPD5510 Approved
0.6995 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6995 Remote Similarity NPD6226 Phase 3
0.6995 Remote Similarity NPD5065 Approved
0.6991 Remote Similarity NPD8629 Discontinued
0.6987 Remote Similarity NPD5887 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44577196
ChEMBL   CHEMBL450682
ZINC  

Physicochemical Properties

Molecular Weight:  595.35
ALogP:  -3.0798
MLogP:  3.55
XLogP:  4.337
# Rotatable Bonds:  16
Polar Surface Area:  189.48
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  4
# Heavy Atoms:  43

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