Natural Product: NPC96576

Natural Product ID:  NPC96576
Common Name:   (2R,3S,4S,2'r,3'r)-2,2'-Bis-(3,4,5-Trihydroxy-Phenyl)-3,4,3',4'-Tetrahydro-2H,2'h-[4,8']Bichromenyl-3,5,7,3',5',7'-Hexaol
IUPAC Name:   (2R,3R)-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Synonyms:  
Molecular Formula:   C30H26O14
Standard InCHIKey:  RTEDIEITOBJPNI-MMKMIGCXSA-N
Standard InCHI:  InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27+,28-,29-/m1/s1
Canonical SMILES:  Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(O)c(c(c1)O)O)O)O)c1cc(O)c(c(c1)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
NPO15160 Gutierrezia lucida Species Asteraceae Eukaryota UNPD*
NPO1751 Ribes nigrum Species Grossulariaceae Eukaryota UNPD*
NPO15442 Magnolia sieboldii Species Magnoliaceae Eukaryota UNPD*
NPO7713 Euplotes raikovi Species Euplotidae Eukaryota UNPD*
NPO12756 Roboastra tigris Species Polyceridae Eukaryota UNPD*
NPO12982 Dysidea amblia Species Dysideidae Eukaryota UNPD*
NPO28601 Aspergillus falconensis Species Aspergillaceae Eukaryota UNPD*
NPO11128 Ratibida mexicana Species Asteraceae Eukaryota UNPD*
NPO10713 Trifolium repens Species Fabaceae Eukaryota TCM_Taiwan*
NPO15626 Alternaria japonica Species Pleosporaceae Eukaryota UNPD*
NPO14284 Delphinium shawurense Species Ranunculaceae Eukaryota UNPD*
NPO13311 Agelas linnaei Species Agelasidae Eukaryota UNPD*
NPO14178 Leonurus persicus Species Lamiaceae Eukaryota UNPD*
NPO14673 Lathyrus nissolia Species Fabaceae Eukaryota UNPD*
NPO13477 Cyberlindnera jadinii Species Phaffomycetaceae Eukaryota UNPD*
NPO965 Bleekeria vitiensis Species Plesiopidae Eukaryota UNPD*
NPO14043 Caulerpa serrulata Species Caulerpaceae Eukaryota UNPD*
NPO15253 Helichrysum graveolens Species Asteraceae Eukaryota UNPD*
NPO10887 Pseudeurotium zonatum Species Pseudeurotiaceae Eukaryota UNPD*
NPO13160 Garcinia xipshuanbannaensis Species Clusiaceae Eukaryota UNPD*
NPO9860.1 Pinus brutia var. eldarica Varieties Pinaceae Eukaryota UNPD*
NPO10191 Ormosia balansae Species Limoniidae Eukaryota UNPD*
NPO2458 Aconitum violaceum Species Ranunculaceae Eukaryota UNPD*
NPO16741 Codonopsis pilosula Species Campanulaceae Eukaryota UNPD*
NPO11912 Peltogyne porphyrocardia Species Fabaceae Eukaryota UNPD*
NPO6347 Iryanthera paraensis Species Myristicaceae Eukaryota UNPD*
NPO4512 Fagraea gracilipes Species Gentianaceae Eukaryota UNPD*
NPO3949 Ceramium rubrum Species Ceramiaceae Eukaryota UNPD*
NPO3244 Ascidia ahodori Species Ascidiidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT759 Cell Line H9 Homo sapiens IC50 = 18 ug/ml 10.1016/0960-894X(96)00095-9
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 12 ug/ml 10.1016/0960-894X(96)00095-9
NPT2 Others Unspecified Therapeutic index = 1.5 10.1016/0960-894X(96)00095-9

  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 NPC96576 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 NPC204770
0.9928 High Similarity NPC58190
0.9928 High Similarity NPC70409
0.9928 High Similarity NPC263940
0.9928 High Similarity NPC108811
0.9928 High Similarity NPC236202
0.9928 High Similarity NPC262911
0.9928 High Similarity NPC294558
0.9928 High Similarity NPC82917
0.9928 High Similarity NPC18185
0.9928 High Similarity NPC202742
0.9928 High Similarity NPC170103
0.9787 High Similarity NPC211561
0.9716 High Similarity NPC227516
0.9716 High Similarity NPC20757
0.9583 High Similarity NPC272552
0.9583 High Similarity NPC226809
0.9583 High Similarity NPC226108
0.9583 High Similarity NPC46283
0.9583 High Similarity NPC322899
0.9583 High Similarity NPC134911
0.9583 High Similarity NPC279406
0.9583 High Similarity NPC44192
0.9583 High Similarity NPC469944
0.958 High Similarity NPC477612
0.9571 High Similarity NPC171932
0.9571 High Similarity NPC28440
0.9517 High Similarity NPC20050
0.9517 High Similarity NPC224161
0.9517 High Similarity NPC306267
0.9496 High Similarity NPC178054
0.9496 High Similarity NPC277331
0.9496 High Similarity NPC100482
0.9452 High Similarity NPC46335
0.9286 High Similarity NPC262189
0.9262 High Similarity NPC73517
0.9262 High Similarity NPC147743
0.9262 High Similarity NPC4809
0.9241 High Similarity NPC321657
0.9241 High Similarity NPC318373
0.9209 High Similarity NPC470802
0.92 High Similarity NPC106601
0.92 High Similarity NPC212614
0.92 High Similarity NPC205613
0.92 High Similarity NPC185231
0.92 High Similarity NPC159526
0.92 High Similarity NPC151474
0.92 High Similarity NPC86630
0.92 High Similarity NPC471404
0.9172 High Similarity NPC281549
0.9167 High Similarity NPC155564
0.9167 High Similarity NPC102280
0.9167 High Similarity NPC260397
0.9167 High Similarity NPC248053
0.9161 High Similarity NPC304894
0.9161 High Similarity NPC475492
0.9161 High Similarity NPC473108
0.9161 High Similarity NPC15659
0.9149 High Similarity NPC22317
0.9143 High Similarity NPC474390
0.9103 High Similarity NPC101376
0.9091 High Similarity NPC173203
0.9091 High Similarity NPC163508
0.9078 High Similarity NPC70682
0.9078 High Similarity NPC260741
0.906 High Similarity NPC157333
0.9041 High Similarity NPC329836
0.9034 High Similarity NPC150714
0.9034 High Similarity NPC274454
0.9034 High Similarity NPC95652
0.9034 High Similarity NPC215678
0.9021 High Similarity NPC59841
0.9021 High Similarity NPC204347
0.9021 High Similarity NPC2613
0.9021 High Similarity NPC475891
0.902 High Similarity NPC12326
0.9014 High Similarity NPC61783
0.9014 High Similarity NPC259519
0.9014 High Similarity NPC291101
0.9014 High Similarity NPC266197
0.9014 High Similarity NPC20520
0.9007 High Similarity NPC211549
0.9 High Similarity NPC473413
0.9 High Similarity NPC234333
0.9 High Similarity NPC164787
0.9 High Similarity NPC47398
0.9 High Similarity NPC260898
0.8986 High Similarity NPC268342
0.8986 High Similarity NPC42760
0.8986 High Similarity NPC329343
0.8986 High Similarity NPC324517
0.8986 High Similarity NPC220825
0.8986 High Similarity NPC321972
0.8986 High Similarity NPC268266
0.898 High Similarity NPC476969
0.8973 High Similarity NPC174251
0.8973 High Similarity NPC474397
0.8973 High Similarity NPC153182
0.8966 High Similarity NPC181615
0.8958 High Similarity NPC37793
0.8958 High Similarity NPC102044
0.8958 High Similarity NPC47633
0.8958 High Similarity NPC85264
0.8951 High Similarity NPC471389
0.8951 High Similarity NPC263261
0.8951 High Similarity NPC35216
0.8951 High Similarity NPC87725
0.8947 High Similarity NPC98083
0.8947 High Similarity NPC166456
0.8947 High Similarity NPC94220
0.8947 High Similarity NPC7543
0.8947 High Similarity NPC24339
0.8944 High Similarity NPC32630
0.8944 High Similarity NPC22517
0.8936 High Similarity NPC248727
0.8936 High Similarity NPC162659
0.8936 High Similarity NPC16435
0.8936 High Similarity NPC302701
0.8936 High Similarity NPC306441
0.8936 High Similarity NPC269091
0.8936 High Similarity NPC265433
0.8936 High Similarity NPC270456
0.8933 High Similarity NPC8712
0.8929 High Similarity NPC256307
0.8929 High Similarity NPC66840
0.8926 High Similarity NPC59692
0.8926 High Similarity NPC476391
0.8926 High Similarity NPC325860
0.8921 High Similarity NPC78770
0.8921 High Similarity NPC185604
0.8921 High Similarity NPC126029
0.8921 High Similarity NPC261619
0.8921 High Similarity NPC61477
0.8921 High Similarity NPC219876
0.8921 High Similarity NPC15658
0.8912 High Similarity NPC473876
0.8904 High Similarity NPC317053
0.8904 High Similarity NPC324492
0.8897 High Similarity NPC93323
0.8897 High Similarity NPC280092
0.8897 High Similarity NPC12641
0.8897 High Similarity NPC469313
0.8897 High Similarity NPC63879
0.8897 High Similarity NPC138227
0.8897 High Similarity NPC45257
0.8897 High Similarity NPC76176
0.8897 High Similarity NPC168579
0.8889 High Similarity NPC1253
0.8889 High Similarity NPC100936
0.8882 High Similarity NPC470827
0.8881 High Similarity NPC309124
0.8881 High Similarity NPC184797
0.8874 High Similarity NPC202104
0.8873 High Similarity NPC48956
0.8873 High Similarity NPC470307
0.8873 High Similarity NPC470308
0.8865 High Similarity NPC94750
0.8865 High Similarity NPC125579
0.8865 High Similarity NPC112939
0.8865 High Similarity NPC112246
0.8865 High Similarity NPC474206
0.8865 High Similarity NPC151224
0.8865 High Similarity NPC470356
0.8865 High Similarity NPC121812
0.8865 High Similarity NPC61946
0.8859 High Similarity NPC259707
0.8859 High Similarity NPC2745
0.8859 High Similarity NPC471403
0.8857 High Similarity NPC11060
0.8851 High Similarity NPC470098
0.8851 High Similarity NPC470826
0.8851 High Similarity NPC473266
0.8846 High Similarity NPC9309
0.8844 High Similarity NPC473480
0.8844 High Similarity NPC327412
0.8844 High Similarity NPC16269
0.8844 High Similarity NPC15538
0.8844 High Similarity NPC320970
0.8844 High Similarity NPC21776
0.8844 High Similarity NPC328567
0.8844 High Similarity NPC320671
0.8836 High Similarity NPC161700
0.8836 High Similarity NPC472457
0.8836 High Similarity NPC277867
0.8831 High Similarity NPC109061
0.8831 High Similarity NPC155754
0.8831 High Similarity NPC124747
0.8824 High Similarity NPC470828
0.8819 High Similarity NPC311530
0.8819 High Similarity NPC265075
0.8819 High Similarity NPC247291
0.8816 High Similarity NPC165483
0.8811 High Similarity NPC127218
0.8811 High Similarity NPC236306
0.8811 High Similarity NPC114171
0.8811 High Similarity NPC319647
0.8811 High Similarity NPC25966
0.8811 High Similarity NPC471388
0.8811 High Similarity NPC475836
0.8811 High Similarity NPC6300

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96576 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
0.8921 High Similarity NPD1612 Clinical (unspecified phase)
0.8921 High Similarity NPD1613 Approved
0.8696 High Similarity NPD1530 Clinical (unspecified phase)
0.8643 High Similarity NPD4907 Clinical (unspecified phase)
0.8633 High Similarity NPD1529 Clinical (unspecified phase)
0.85 High Similarity NPD4908 Phase 1
0.844 Intermediate Similarity NPD3027 Phase 3
0.8217 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8199 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8199 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8199 Intermediate Similarity NPD6166 Phase 2
0.8171 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD1610 Phase 2
0.7988 Intermediate Similarity NPD7228 Approved
0.7975 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7947 Intermediate Similarity NPD6674 Discontinued
0.7917 Intermediate Similarity NPD2861 Phase 2
0.7901 Intermediate Similarity NPD6959 Discontinued
0.7877 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD8455 Phase 2
0.7808 Intermediate Similarity NPD4625 Phase 3
0.7799 Intermediate Similarity NPD1934 Approved
0.7784 Intermediate Similarity NPD7074 Phase 3
0.7778 Intermediate Similarity NPD6234 Discontinued
0.7771 Intermediate Similarity NPD1653 Approved
0.7762 Intermediate Similarity NPD4749 Approved
0.7725 Intermediate Similarity NPD5844 Phase 1
0.7725 Intermediate Similarity NPD7054 Approved
0.7714 Intermediate Similarity NPD1548 Phase 1
0.7712 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD37 Approved
0.7679 Intermediate Similarity NPD7472 Approved
0.7673 Intermediate Similarity NPD4380 Phase 2
0.7654 Intermediate Similarity NPD4965 Approved
0.7654 Intermediate Similarity NPD4966 Approved
0.7654 Intermediate Similarity NPD4967 Phase 2
0.7633 Intermediate Similarity NPD6797 Phase 2
0.7593 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7588 Intermediate Similarity NPD7251 Discontinued
0.7576 Intermediate Similarity NPD7199 Phase 2
0.7558 Intermediate Similarity NPD8054 Approved
0.7558 Intermediate Similarity NPD8053 Approved
0.7533 Intermediate Similarity NPD3620 Phase 2
0.7533 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD4060 Phase 1
0.7531 Intermediate Similarity NPD1465 Phase 2
0.7516 Intermediate Similarity NPD7212 Phase 2
0.7516 Intermediate Similarity NPD7213 Phase 3
0.7515 Intermediate Similarity NPD5494 Approved
0.7485 Intermediate Similarity NPD7240 Approved
0.7483 Intermediate Similarity NPD5124 Phase 1
0.7483 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD7447 Phase 1
0.7468 Intermediate Similarity NPD7266 Discontinued
0.7468 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD3818 Discontinued
0.7442 Intermediate Similarity NPD7808 Phase 3
0.7432 Intermediate Similarity NPD3018 Phase 2
0.7423 Intermediate Similarity NPD2801 Approved
0.7412 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD1511 Approved
0.7399 Intermediate Similarity NPD8313 Approved
0.7399 Intermediate Similarity NPD8312 Approved
0.7394 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD4538 Approved
0.7386 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD4536 Approved
0.7381 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD1091 Approved
0.7365 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD8651 Approved
0.7341 Intermediate Similarity NPD7549 Discontinued
0.7341 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD5588 Approved
0.7338 Intermediate Similarity NPD5960 Phase 3
0.7337 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7768 Phase 2
0.7321 Intermediate Similarity NPD6232 Discontinued
0.7321 Intermediate Similarity NPD3787 Discontinued
0.7312 Intermediate Similarity NPD1512 Approved
0.7294 Intermediate Similarity NPD7473 Discontinued
0.7289 Intermediate Similarity NPD7075 Discontinued
0.7283 Intermediate Similarity NPD6559 Discontinued
0.7279 Intermediate Similarity NPD2983 Phase 2
0.7279 Intermediate Similarity NPD2982 Phase 2
0.7273 Intermediate Similarity NPD7097 Phase 1
0.7244 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD5283 Phase 1
0.7229 Intermediate Similarity NPD3882 Suspended
0.7211 Intermediate Similarity NPD2981 Phase 2
0.7209 Intermediate Similarity NPD8156 Discontinued
0.7195 Intermediate Similarity NPD7411 Suspended
0.7179 Intermediate Similarity NPD6100 Approved
0.7179 Intermediate Similarity NPD6099 Approved
0.7175 Intermediate Similarity NPD4663 Approved
0.7169 Intermediate Similarity NPD3817 Phase 2
0.7162 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD1652 Phase 2
0.7151 Intermediate Similarity NPD8099 Discontinued
0.7151 Intermediate Similarity NPD8251 Approved
0.7151 Intermediate Similarity NPD8252 Approved
0.7143 Intermediate Similarity NPD5735 Approved
0.7143 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD7157 Approved
0.7125 Intermediate Similarity NPD5058 Phase 3
0.7123 Intermediate Similarity NPD5846 Approved
0.7123 Intermediate Similarity NPD6516 Phase 2
0.7115 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD7819 Suspended
0.7107 Intermediate Similarity NPD3892 Phase 2
0.7107 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD7466 Approved
0.7102 Intermediate Similarity NPD4577 Approved
0.7102 Intermediate Similarity NPD4578 Approved
0.7097 Intermediate Similarity NPD7680 Approved
0.7095 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD228 Approved
0.7091 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD1549 Phase 2
0.7083 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7041 Phase 2
0.7073 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD3022 Approved
0.7071 Intermediate Similarity NPD3021 Approved
0.7066 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD5402 Approved
0.7063 Intermediate Similarity NPD6190 Approved
0.7059 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6798 Discontinued
0.7059 Intermediate Similarity NPD8127 Discontinued
0.7052 Intermediate Similarity NPD3751 Discontinued
0.7048 Intermediate Similarity NPD6801 Discontinued
0.7044 Intermediate Similarity NPD5177 Phase 3
0.7042 Intermediate Similarity NPD7843 Approved
0.7039 Intermediate Similarity NPD7906 Approved
0.7037 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD27 Approved
0.7035 Intermediate Similarity NPD2489 Approved
0.7025 Intermediate Similarity NPD5763 Approved
0.7025 Intermediate Similarity NPD5762 Approved
0.7022 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD6584 Phase 3
0.7018 Intermediate Similarity NPD7229 Phase 3
0.7018 Intermediate Similarity NPD3051 Approved
0.7014 Intermediate Similarity NPD6671 Approved
0.7006 Intermediate Similarity NPD7310 Approved
0.7006 Intermediate Similarity NPD7313 Approved
0.7006 Intermediate Similarity NPD7312 Approved
0.7006 Intermediate Similarity NPD7311 Approved
0.7 Intermediate Similarity NPD6331 Phase 2
0.7 Intermediate Similarity NPD2684 Approved
0.7 Intermediate Similarity NPD3750 Approved
0.6981 Remote Similarity NPD7037 Approved
0.6981 Remote Similarity NPD2424 Discontinued
0.6977 Remote Similarity NPD2969 Approved
0.6977 Remote Similarity NPD2970 Approved
0.697 Remote Similarity NPD6055 Clinical (unspecified phase)
0.697 Remote Similarity NPD4005 Discontinued
0.6968 Remote Similarity NPD1558 Phase 1
0.6966 Remote Similarity NPD7309 Approved
0.6957 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6957 Remote Similarity NPD2677 Approved
0.6951 Remote Similarity NPD5403 Approved
0.6949 Remote Similarity NPD8453 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6929 Remote Similarity NPD290 Approved
0.6928 Remote Similarity NPD4675 Approved
0.6928 Remote Similarity NPD4678 Approved
0.6923 Remote Similarity NPD6355 Discontinued
0.6918 Remote Similarity NPD3540 Phase 1
0.6913 Remote Similarity NPD3705 Approved
0.6913 Remote Similarity NPD422 Phase 1
0.6903 Remote Similarity NPD6233 Phase 2
0.6894 Remote Similarity NPD4535 Phase 3
0.6887 Remote Similarity NPD6696 Suspended
0.6883 Remote Similarity NPD7095 Approved
0.6871 Remote Similarity NPD7390 Discontinued
0.6859 Remote Similarity NPD2238 Phase 2
0.6859 Remote Similarity NPD4140 Approved
0.6859 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6855 Remote Similarity NPD3539 Phase 1
0.6842 Remote Similarity NPD3094 Phase 2
0.6832 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6831 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6831 Remote Similarity NPD4750 Phase 3
0.6829 Remote Similarity NPD5401 Approved
0.6829 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6823 Remote Similarity NPD8151 Discontinued
0.6821 Remote Similarity NPD6582 Phase 2
0.6821 Remote Similarity NPD6583 Phase 3
0.6821 Remote Similarity NPD5327 Phase 3

Structure

External Identifiers

PubChem CID   442682
ChEMBL   CHEMBL349509
ZINC  

Physicochemical Properties

Molecular Weight:  610.13
ALogP:  -6.1019
MLogP:  3.22
XLogP:  -0.903
# Rotatable Bonds:  15
Polar Surface Area:  261.22
# H-Bond Aceptor:  2
# H-Bond Donor:  12
# Rings:  6
# Heavy Atoms:  44

Download Data

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