Natural Product: NPC173872

Natural Product ID:  NPC173872
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C41H30O27
Standard InCHIKey:  HGJXAVROWQLCTP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)
Canonical SMILES:  OC(=O)CC1C(=O)OC2C3COC(=O)c4cc(O)c(c(c4c4c(C(=O)OC2C(OC(=O)c2c5C1C(O)C(=O)Oc5c(c(c2)O)O)C(O3)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c4O)O)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
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TM-MC*
NPO22244 Terminalia bellirica Species Combretaceae Eukaryota TM-MC*
NPO26650 Terminalia chebula Species Combretaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 17538.81 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 24099.05 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 30408.85 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 49317.38 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 16672.47 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 27227.01 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 7430.19 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 36391.5 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 52480.75 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 36391.5 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 18030.18 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 27289.78 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 16672.47 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 23933.16 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 20511.62 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 13520.73 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 26181.83 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 33728.73 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 28840.32 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 16982.44 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 15922.09 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 27669.42 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 69662.65 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 36897.76 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 37931.5 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 14028.14 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 21627.19 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 3349.65 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 17458.22 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 14621.77 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 36559.48 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 17988.71 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 16865.53 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 33806.48 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 18535.32 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 15995.58 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 59841.16 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 17338.04 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 26363.31 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 30199.52 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 27797.13 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 56493.7 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 18535.32 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 34119.29 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 13740.42 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 13551.89 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 30408.85 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 95499.26 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 4385.31 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 35075.19 nM PubChem BioAssay data set

  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 NPC173872 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
1.0 High Similarity NPC119094
0.9884 High Similarity NPC7839
0.9884 High Similarity NPC142291
0.9649 High Similarity NPC80956
0.9532 High Similarity NPC297574
0.9489 High Similarity NPC201814
0.9425 High Similarity NPC123259
0.9425 High Similarity NPC129533
0.9419 High Similarity NPC472723
0.9322 High Similarity NPC269046
0.9322 High Similarity NPC477083
0.9322 High Similarity NPC477081
0.9318 High Similarity NPC261623
0.9318 High Similarity NPC111490
0.927 High Similarity NPC472721
0.927 High Similarity NPC31208
0.927 High Similarity NPC160543
0.927 High Similarity NPC93065
0.927 High Similarity NPC472720
0.927 High Similarity NPC469652
0.927 High Similarity NPC472724
0.9266 High Similarity NPC237202
0.9261 High Similarity NPC231254
0.9257 High Similarity NPC8940
0.9227 High Similarity NPC3474
0.9222 High Similarity NPC477082
0.9213 High Similarity NPC240200
0.9213 High Similarity NPC158214
0.9213 High Similarity NPC223534
0.9213 High Similarity NPC290289
0.9209 High Similarity NPC469650
0.9195 High Similarity NPC473713
0.9191 High Similarity NPC219600
0.9191 High Similarity NPC34436
0.9191 High Similarity NPC263119
0.9191 High Similarity NPC166674
0.9191 High Similarity NPC473550
0.9191 High Similarity NPC46640
0.9186 High Similarity NPC181778
0.9186 High Similarity NPC470272
0.9181 High Similarity NPC311389
0.9181 High Similarity NPC470271
0.9162 High Similarity NPC187632
0.9157 High Similarity NPC65489
0.9157 High Similarity NPC469649
0.9157 High Similarity NPC260521
0.9148 High Similarity NPC208797
0.9148 High Similarity NPC53680
0.9123 High Similarity NPC175793
0.9116 High Similarity NPC476358
0.9111 High Similarity NPC97924
0.9111 High Similarity NPC471091
0.9111 High Similarity NPC264302
0.9111 High Similarity NPC40078
0.907 High Similarity NPC43918
0.907 High Similarity NPC261411
0.907 High Similarity NPC473818
0.907 High Similarity NPC190204
0.904 High Similarity NPC170203
0.904 High Similarity NPC125352
0.9023 High Similarity NPC65333
0.9017 High Similarity NPC149300
0.9016 High Similarity NPC189312
0.8989 High Similarity NPC135831
0.8989 High Similarity NPC297503
0.8989 High Similarity NPC97119
0.8983 High Similarity NPC198902
0.8977 High Similarity NPC67629
0.8977 High Similarity NPC79736
0.8966 High Similarity NPC47521
0.896 High Similarity NPC31034
0.8947 High Similarity NPC291957
0.8947 High Similarity NPC14030
0.8944 High Similarity NPC475360
0.8927 High Similarity NPC267549
0.8914 High Similarity NPC38438
0.8914 High Similarity NPC100251
0.8908 High Similarity NPC198125
0.8908 High Similarity NPC197708
0.8908 High Similarity NPC658
0.8908 High Similarity NPC95421
0.8895 High Similarity NPC121290
0.8895 High Similarity NPC470898
0.8889 High Similarity NPC474093
0.8889 High Similarity NPC104910
0.8883 High Similarity NPC132111
0.8883 High Similarity NPC470718
0.8871 High Similarity NPC470450
0.8864 High Similarity NPC98583
0.884 High Similarity NPC97817
0.884 High Similarity NPC269625
0.884 High Similarity NPC179947
0.884 High Similarity NPC475179
0.884 High Similarity NPC72554
0.884 High Similarity NPC30011
0.884 High Similarity NPC105591
0.8833 High Similarity NPC470713
0.8833 High Similarity NPC25946
0.8833 High Similarity NPC470720
0.8833 High Similarity NPC460984
0.8833 High Similarity NPC21359
0.8833 High Similarity NPC470717
0.882 High Similarity NPC113836
0.882 High Similarity NPC476620
0.882 High Similarity NPC476622
0.882 High Similarity NPC37668
0.882 High Similarity NPC476618
0.882 High Similarity NPC476623
0.882 High Similarity NPC476619
0.882 High Similarity NPC253521
0.882 High Similarity NPC258044
0.882 High Similarity NPC267680
0.882 High Similarity NPC217387
0.882 High Similarity NPC196127
0.882 High Similarity NPC293626
0.882 High Similarity NPC476621
0.8817 High Similarity NPC174140
0.8814 High Similarity NPC473630
0.8807 High Similarity NPC47140
0.8807 High Similarity NPC102851
0.8807 High Similarity NPC5786
0.8807 High Similarity NPC67134
0.8791 High Similarity NPC473618
0.8791 High Similarity NPC205721
0.8785 High Similarity NPC473554
0.8785 High Similarity NPC295625
0.8785 High Similarity NPC112380
0.8785 High Similarity NPC470719
0.8778 High Similarity NPC241781
0.8778 High Similarity NPC156785
0.8778 High Similarity NPC162394
0.8771 High Similarity NPC471030
0.8771 High Similarity NPC472726
0.8771 High Similarity NPC472725
0.8764 High Similarity NPC144097
0.8764 High Similarity NPC61904
0.8757 High Similarity NPC175230
0.8757 High Similarity NPC88560
0.8757 High Similarity NPC163165
0.8757 High Similarity NPC172033
0.875 High Similarity NPC204937
0.875 High Similarity NPC149011
0.8729 High Similarity NPC249560
0.8729 High Similarity NPC223860
0.8729 High Similarity NPC470416
0.8729 High Similarity NPC49690
0.8729 High Similarity NPC275977
0.8729 High Similarity NPC318119
0.8728 High Similarity NPC285108
0.8728 High Similarity NPC33298
0.8722 High Similarity NPC117668
0.8722 High Similarity NPC469371
0.8721 High Similarity NPC289346
0.8721 High Similarity NPC24627
0.8721 High Similarity NPC24164
0.8715 High Similarity NPC477895
0.8715 High Similarity NPC217520
0.8715 High Similarity NPC35167
0.8715 High Similarity NPC472387
0.8715 High Similarity NPC139571
0.8713 High Similarity NPC238419
0.8713 High Similarity NPC172419
0.8708 High Similarity NPC34267
0.8708 High Similarity NPC81042
0.8708 High Similarity NPC253685
0.8708 High Similarity NPC214621
0.8708 High Similarity NPC171706
0.8708 High Similarity NPC223426
0.8681 High Similarity NPC221140
0.8681 High Similarity NPC473686
0.8681 High Similarity NPC475352
0.8681 High Similarity NPC475220
0.8681 High Similarity NPC33083
0.8681 High Similarity NPC87583
0.8681 High Similarity NPC229817
0.8678 High Similarity NPC67959
0.8674 High Similarity NPC36138
0.8674 High Similarity NPC321916
0.8667 High Similarity NPC212290
0.8663 High Similarity NPC37502
0.8663 High Similarity NPC87317
0.8663 High Similarity NPC40702
0.8663 High Similarity NPC267627
0.8659 High Similarity NPC268533
0.8659 High Similarity NPC472992
0.8659 High Similarity NPC472991
0.8655 High Similarity NPC239019
0.8655 High Similarity NPC104983
0.8655 High Similarity NPC300845
0.8655 High Similarity NPC247629
0.8655 High Similarity NPC250436
0.8655 High Similarity NPC318432
0.8655 High Similarity NPC291948
0.8655 High Similarity NPC88803
0.8652 High Similarity NPC316539
0.8652 High Similarity NPC472993
0.8644 High Similarity NPC52598
0.8644 High Similarity NPC285197
0.8636 High Similarity NPC298847
0.8636 High Similarity NPC45400

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC173872 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
0.9023 High Similarity NPD7993 Clinical (unspecified phase)
0.8655 High Similarity NPD4868 Clinical (unspecified phase)
0.8538 High Similarity NPD1465 Phase 2
0.85 High Similarity NPD4338 Clinical (unspecified phase)
0.85 High Similarity NPD7808 Phase 3
0.8492 Intermediate Similarity NPD6797 Phase 2
0.8444 Intermediate Similarity NPD7251 Discontinued
0.8436 Intermediate Similarity NPD7074 Phase 3
0.8436 Intermediate Similarity NPD7472 Approved
0.8418 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8418 Intermediate Similarity NPD6166 Phase 2
0.8418 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.838 Intermediate Similarity NPD7054 Approved
0.838 Intermediate Similarity NPD5844 Phase 1
0.8352 Intermediate Similarity NPD8313 Approved
0.8352 Intermediate Similarity NPD8312 Approved
0.8324 Intermediate Similarity NPD7228 Approved
0.8324 Intermediate Similarity NPD3818 Discontinued
0.8138 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8128 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8114 Intermediate Similarity NPD8455 Phase 2
0.8079 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8071 Intermediate Similarity NPD8151 Discontinued
0.8056 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8045 Intermediate Similarity NPD7199 Phase 2
0.8034 Intermediate Similarity NPD6234 Discontinued
0.8 Intermediate Similarity NPD6232 Discontinued
0.7968 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7967 Intermediate Similarity NPD7473 Discontinued
0.7955 Intermediate Similarity NPD37 Approved
0.7946 Intermediate Similarity NPD7240 Approved
0.7944 Intermediate Similarity NPD6959 Discontinued
0.7923 Intermediate Similarity NPD3751 Discontinued
0.7921 Intermediate Similarity NPD4966 Approved
0.7921 Intermediate Similarity NPD4965 Approved
0.7921 Intermediate Similarity NPD4967 Phase 2
0.7853 Intermediate Similarity NPD1934 Approved
0.7849 Intermediate Similarity NPD7685 Pre-registration
0.7829 Intermediate Similarity NPD1653 Approved
0.7814 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7802 Intermediate Similarity NPD3787 Discontinued
0.7765 Intermediate Similarity NPD3817 Phase 2
0.7754 Intermediate Similarity NPD6559 Discontinued
0.7722 Intermediate Similarity NPD3882 Suspended
0.7709 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.768 Intermediate Similarity NPD3749 Approved
0.768 Intermediate Similarity NPD7075 Discontinued
0.767 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7638 Intermediate Similarity NPD7435 Discontinued
0.7635 Intermediate Similarity NPD7783 Phase 2
0.7635 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD7819 Suspended
0.7611 Intermediate Similarity NPD2801 Approved
0.7596 Intermediate Similarity NPD5494 Approved
0.7576 Intermediate Similarity NPD6779 Approved
0.7576 Intermediate Similarity NPD6781 Approved
0.7576 Intermediate Similarity NPD6778 Approved
0.7576 Intermediate Similarity NPD6782 Approved
0.7576 Intermediate Similarity NPD6777 Approved
0.7576 Intermediate Similarity NPD6780 Approved
0.7576 Intermediate Similarity NPD6776 Approved
0.7569 Intermediate Similarity NPD5402 Approved
0.7569 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD7697 Approved
0.755 Intermediate Similarity NPD7680 Approved
0.755 Intermediate Similarity NPD7698 Approved
0.755 Intermediate Similarity NPD7696 Phase 3
0.7542 Intermediate Similarity NPD4380 Phase 2
0.7527 Intermediate Similarity NPD7768 Phase 2
0.7525 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD1512 Approved
0.7514 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD8320 Phase 1
0.7512 Intermediate Similarity NPD7871 Phase 2
0.7512 Intermediate Similarity NPD8319 Approved
0.7512 Intermediate Similarity NPD7870 Phase 2
0.75 Intermediate Similarity NPD7411 Suspended
0.75 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7874 Approved
0.7488 Intermediate Similarity NPD7701 Phase 2
0.7486 Intermediate Similarity NPD6190 Approved
0.7459 Intermediate Similarity NPD6801 Discontinued
0.7429 Intermediate Similarity NPD3750 Approved
0.7401 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD1511 Approved
0.7389 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7387 Intermediate Similarity NPD7699 Phase 2
0.7387 Intermediate Similarity NPD7700 Phase 2
0.7379 Intermediate Similarity NPD7801 Approved
0.7374 Intermediate Similarity NPD5403 Approved
0.7371 Intermediate Similarity NPD8434 Phase 2
0.736 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD7266 Discontinued
0.7323 Intermediate Similarity NPD6534 Approved
0.7323 Intermediate Similarity NPD6535 Approved
0.7303 Intermediate Similarity NPD6799 Approved
0.7287 Intermediate Similarity NPD3926 Phase 2
0.7282 Intermediate Similarity NPD8150 Discontinued
0.7273 Intermediate Similarity NPD8127 Discontinued
0.7267 Intermediate Similarity NPD230 Phase 1
0.7263 Intermediate Similarity NPD5401 Approved
0.7253 Intermediate Similarity NPD6599 Discontinued
0.7232 Intermediate Similarity NPD4628 Phase 3
0.723 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD1549 Phase 2
0.7209 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD1613 Approved
0.7198 Intermediate Similarity NPD3226 Approved
0.7198 Intermediate Similarity NPD7458 Discontinued
0.7175 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD6674 Discontinued
0.7167 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD919 Approved
0.7163 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3748 Approved
0.7092 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD6823 Phase 2
0.7072 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD2534 Approved
0.7072 Intermediate Similarity NPD2533 Approved
0.7072 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD2532 Approved
0.7053 Intermediate Similarity NPD7229 Phase 3
0.7033 Intermediate Similarity NPD6273 Approved
0.7018 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD7390 Discontinued
0.7 Intermediate Similarity NPD1247 Approved
0.6995 Remote Similarity NPD8090 Clinical (unspecified phase)
0.699 Remote Similarity NPD7549 Discontinued
0.6986 Remote Similarity NPD7585 Approved
0.6977 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6949 Remote Similarity NPD1510 Phase 2
0.6944 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7003 Approved
0.6944 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6938 Remote Similarity NPD7583 Approved
0.6936 Remote Similarity NPD3027 Phase 3
0.6931 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6213 Phase 3
0.6931 Remote Similarity NPD6212 Phase 3
0.6915 Remote Similarity NPD5353 Approved
0.691 Remote Similarity NPD2796 Approved
0.6907 Remote Similarity NPD7177 Discontinued
0.6897 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6798 Discontinued
0.6893 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7097 Phase 1
0.6879 Remote Similarity NPD4908 Phase 1
0.6875 Remote Similarity NPD1933 Approved
0.6875 Remote Similarity NPD447 Suspended
0.6866 Remote Similarity NPD4287 Approved
0.6854 Remote Similarity NPD651 Clinical (unspecified phase)
0.6851 Remote Similarity NPD8166 Discontinued
0.6839 Remote Similarity NPD5242 Approved
0.6818 Remote Similarity NPD943 Approved
0.6818 Remote Similarity NPD4060 Phase 1
0.6816 Remote Similarity NPD5408 Approved
0.6816 Remote Similarity NPD5405 Approved
0.6816 Remote Similarity NPD1551 Phase 2
0.6816 Remote Similarity NPD6099 Approved
0.6816 Remote Similarity NPD5404 Approved
0.6816 Remote Similarity NPD6100 Approved
0.6816 Remote Similarity NPD5406 Approved
0.681 Remote Similarity NPD7211 Clinical (unspecified phase)
0.68 Remote Similarity NPD3764 Approved
0.68 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6791 Remote Similarity NPD7930 Approved
0.678 Remote Similarity NPD7667 Clinical (unspecified phase)
0.678 Remote Similarity NPD6355 Discontinued
0.6777 Remote Similarity NPD7584 Approved
0.6768 Remote Similarity NPD7039 Approved
0.6768 Remote Similarity NPD7038 Approved
0.6761 Remote Similarity NPD6233 Phase 2
0.6737 Remote Similarity NPD4288 Approved
0.6733 Remote Similarity NPD6841 Approved
0.6733 Remote Similarity NPD6842 Approved
0.6733 Remote Similarity NPD6843 Phase 3
0.6725 Remote Similarity NPD9269 Phase 2
0.6723 Remote Similarity NPD1240 Approved
0.6722 Remote Similarity NPD2935 Discontinued
0.672 Remote Similarity NPD920 Approved
0.6717 Remote Similarity NPD5953 Discontinued
0.6705 Remote Similarity NPD3268 Approved
0.6703 Remote Similarity NPD642 Clinical (unspecified phase)
0.6701 Remote Similarity NPD5710 Approved
0.6701 Remote Similarity NPD5711 Approved
0.6685 Remote Similarity NPD5124 Phase 1
0.6685 Remote Similarity NPD2346 Discontinued
0.6685 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6683 Remote Similarity NPD8285 Discontinued
0.6682 Remote Similarity NPD8059 Phase 3
0.6682 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4111 Phase 1
0.6667 Remote Similarity NPD5005 Approved
0.6667 Remote Similarity NPD5006 Approved

Structure

External Identifiers

PubChem CID   250397
ChEMBL   CHEMBL1970427
ZINC  

Physicochemical Properties

Molecular Weight:  954.10
ALogP:  -6.8232
MLogP:  3
XLogP:  -1.67
# Rotatable Bonds:  18
Polar Surface Area:  447.09
# H-Bond Aceptor:  15
# H-Bond Donor:  13
# Rings:  8
# Heavy Atoms:  68

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