Natural Product: NPC214292

Natural Product ID:  NPC214292
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O3
Standard InCHIKey:  MFAYXOLUJJXHCN-YEJLTRTHSA-N
Standard InCHI:  InChI=1S/C20H30O3/c1-14-15(21)12-16-17(2,3)6-5-7-18(16,4)20(14)9-8-19(23-20)10-11-22-13-19/h10-11,14,16H,5-9,12-13H2,1-4H3/t14-,16?,18+,19-,20-/m1/s1
Canonical SMILES:  O=C1CC2C(C)(C)CCC[C@@]2([C@]2([C@@H]1C)CC[C@@]1(O2)C=COC1)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
NPO30707 Leonurus heterophyllus Species Lamiaceae Eukaryota HerDing*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota HerDing*
NPO23548 Leonurus japonicus Species Lamiaceae Eukaryota TCMID*
NPO8187 Schisandra chinensis Species Schisandraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 18663.8 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 32508.73 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 29922.65 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 18706.82 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 13803.84 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 39536.66 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 27797.13 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 24266.1 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 36391.5 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 16032.45 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 50815.94 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 27925.44 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 60953.69 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 34197.94 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 21978.6 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 50815.94 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 38106.58 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 19186.69 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 40271.7 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 29444.22 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 39355.01 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 74473.2 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 43752.21 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 33419.5 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 22698.65 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 36140.99 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 46665.94 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 38106.58 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 30549.21 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 64714.26 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 30199.52 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 42854.85 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 35645.11 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 27542.29 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 32809.53 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 35399.73 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 64268.77 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 36559.48 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 36897.76 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 46131.76 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 41209.75 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 33342.64 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 23442.29 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 90991.33 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 28183.83 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 16032.45 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 32284.94 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 100000 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 NPC214292 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
0.7732 Intermediate Similarity NPC217329
0.7579 Intermediate Similarity NPC471222
0.75 Intermediate Similarity NPC198473
0.7449 Intermediate Similarity NPC224410
0.7449 Intermediate Similarity NPC100257
0.7383 Intermediate Similarity NPC470246
0.7368 Intermediate Similarity NPC175293
0.7315 Intermediate Similarity NPC265391
0.73 Intermediate Similarity NPC29952
0.7297 Intermediate Similarity NPC473720
0.7273 Intermediate Similarity NPC66581
0.7273 Intermediate Similarity NPC474841
0.7273 Intermediate Similarity NPC471446
0.7273 Intermediate Similarity NPC473434
0.7264 Intermediate Similarity NPC208461
0.7264 Intermediate Similarity NPC289702
0.7255 Intermediate Similarity NPC54705
0.7248 Intermediate Similarity NPC470120
0.7232 Intermediate Similarity NPC475520
0.7228 Intermediate Similarity NPC38530
0.7228 Intermediate Similarity NPC84335
0.7228 Intermediate Similarity NPC474921
0.7228 Intermediate Similarity NPC27105
0.7212 Intermediate Similarity NPC99510
0.72 Intermediate Similarity NPC90014
0.72 Intermediate Similarity NPC56369
0.717 Intermediate Similarity NPC180744
0.7157 Intermediate Similarity NPC471330
0.7157 Intermediate Similarity NPC203388
0.7157 Intermediate Similarity NPC471331
0.7157 Intermediate Similarity NPC472687
0.7157 Intermediate Similarity NPC99657
0.7156 Intermediate Similarity NPC269530
0.7143 Intermediate Similarity NPC475776
0.7143 Intermediate Similarity NPC8062
0.713 Intermediate Similarity NPC253906
0.7129 Intermediate Similarity NPC472734
0.7129 Intermediate Similarity NPC472733
0.7115 Intermediate Similarity NPC164551
0.7113 Intermediate Similarity NPC50847
0.7103 Intermediate Similarity NPC37628
0.7097 Intermediate Similarity NPC38642
0.7097 Intermediate Similarity NPC475951
0.7087 Intermediate Similarity NPC471413
0.7087 Intermediate Similarity NPC477656
0.7075 Intermediate Similarity NPC471332
0.7075 Intermediate Similarity NPC471333
0.7071 Intermediate Similarity NPC470230
0.7071 Intermediate Similarity NPC476934
0.7065 Intermediate Similarity NPC476367
0.7065 Intermediate Similarity NPC72755
0.7059 Intermediate Similarity NPC472731
0.7059 Intermediate Similarity NPC472732
0.7048 Intermediate Similarity NPC72842
0.7041 Intermediate Similarity NPC116620
0.7037 Intermediate Similarity NPC469370
0.7037 Intermediate Similarity NPC474242
0.7027 Intermediate Similarity NPC247069
0.7027 Intermediate Similarity NPC117712
0.7021 Intermediate Similarity NPC226988
0.7019 Intermediate Similarity NPC308824
0.7019 Intermediate Similarity NPC471412
0.7019 Intermediate Similarity NPC242666
0.701 Intermediate Similarity NPC251808
0.701 Intermediate Similarity NPC298904
0.701 Intermediate Similarity NPC474174
0.7009 Intermediate Similarity NPC302788
0.7009 Intermediate Similarity NPC78966
0.7009 Intermediate Similarity NPC284732
0.7 Intermediate Similarity NPC475657
0.7 Intermediate Similarity NPC147272
0.699 Remote Similarity NPC153776
0.699 Remote Similarity NPC472730
0.699 Remote Similarity NPC471932
0.699 Remote Similarity NPC472729
0.699 Remote Similarity NPC177680
0.6983 Remote Similarity NPC120724
0.6981 Remote Similarity NPC146731
0.6981 Remote Similarity NPC283850
0.6979 Remote Similarity NPC224345
0.6972 Remote Similarity NPC46407
0.6972 Remote Similarity NPC478209
0.6972 Remote Similarity NPC478211
0.697 Remote Similarity NPC327183
0.697 Remote Similarity NPC328935
0.697 Remote Similarity NPC152467
0.6964 Remote Similarity NPC477509
0.6964 Remote Similarity NPC270478
0.6961 Remote Similarity NPC256227
0.6961 Remote Similarity NPC473964
0.6952 Remote Similarity NPC162973
0.6944 Remote Similarity NPC255082
0.6939 Remote Similarity NPC477128
0.6939 Remote Similarity NPC215831
0.6939 Remote Similarity NPC106332
0.6937 Remote Similarity NPC478212
0.6931 Remote Similarity NPC250075
0.6931 Remote Similarity NPC84893
0.6931 Remote Similarity NPC475118
0.6923 Remote Similarity NPC472727
0.6923 Remote Similarity NPC267921
0.6923 Remote Similarity NPC477655
0.6923 Remote Similarity NPC8369
0.6923 Remote Similarity NPC117685
0.6923 Remote Similarity NPC472728
0.6916 Remote Similarity NPC478208
0.6916 Remote Similarity NPC472655
0.6916 Remote Similarity NPC478052
0.6916 Remote Similarity NPC127609
0.6915 Remote Similarity NPC48673
0.6915 Remote Similarity NPC20096
0.6909 Remote Similarity NPC469656
0.6909 Remote Similarity NPC247031
0.6909 Remote Similarity NPC157476
0.6909 Remote Similarity NPC100329
0.6909 Remote Similarity NPC132790
0.6909 Remote Similarity NPC324683
0.6909 Remote Similarity NPC469655
0.6909 Remote Similarity NPC474229
0.6909 Remote Similarity NPC97939
0.6909 Remote Similarity NPC474846
0.6907 Remote Similarity NPC470051
0.6907 Remote Similarity NPC470050
0.6907 Remote Similarity NPC9231
0.6903 Remote Similarity NPC478204
0.6903 Remote Similarity NPC58662
0.6903 Remote Similarity NPC284068
0.6903 Remote Similarity NPC469684
0.69 Remote Similarity NPC230623
0.69 Remote Similarity NPC165180
0.69 Remote Similarity NPC233437
0.69 Remote Similarity NPC49420
0.69 Remote Similarity NPC207641
0.6893 Remote Similarity NPC113976
0.6893 Remote Similarity NPC469810
0.6893 Remote Similarity NPC190080
0.6893 Remote Similarity NPC473963
0.6893 Remote Similarity NPC198549
0.6893 Remote Similarity NPC111187
0.6887 Remote Similarity NPC156681
0.6887 Remote Similarity NPC61442
0.6887 Remote Similarity NPC471005
0.6887 Remote Similarity NPC36688
0.6887 Remote Similarity NPC254202
0.6881 Remote Similarity NPC474243
0.6881 Remote Similarity NPC20192
0.6881 Remote Similarity NPC478210
0.6875 Remote Similarity NPC219011
0.6875 Remote Similarity NPC97505
0.6875 Remote Similarity NPC477434
0.6875 Remote Similarity NPC65133
0.6875 Remote Similarity NPC90472
0.687 Remote Similarity NPC478051
0.6869 Remote Similarity NPC471043
0.6869 Remote Similarity NPC475108
0.6869 Remote Similarity NPC73995
0.6869 Remote Similarity NPC59682
0.6864 Remote Similarity NPC477745
0.6863 Remote Similarity NPC157686
0.6863 Remote Similarity NPC470232
0.6863 Remote Similarity NPC259042
0.6863 Remote Similarity NPC197158
0.6863 Remote Similarity NPC471624
0.6863 Remote Similarity NPC470229
0.6857 Remote Similarity NPC39683
0.6857 Remote Similarity NPC475958
0.6857 Remote Similarity NPC111292
0.6857 Remote Similarity NPC475099
0.6857 Remote Similarity NPC474899
0.6857 Remote Similarity NPC474912
0.6852 Remote Similarity NPC133422
0.6852 Remote Similarity NPC112780
0.6852 Remote Similarity NPC230541
0.6847 Remote Similarity NPC222834
0.6842 Remote Similarity NPC123880
0.6842 Remote Similarity NPC478206
0.6842 Remote Similarity NPC470420
0.6842 Remote Similarity NPC108581
0.6842 Remote Similarity NPC476935
0.6842 Remote Similarity NPC471159
0.6842 Remote Similarity NPC70479
0.6842 Remote Similarity NPC478205
0.6837 Remote Similarity NPC38885
0.6832 Remote Similarity NPC12297
0.6832 Remote Similarity NPC199543
0.6827 Remote Similarity NPC264378
0.6827 Remote Similarity NPC469986
0.6827 Remote Similarity NPC476806
0.6827 Remote Similarity NPC476807
0.6827 Remote Similarity NPC474724
0.6827 Remote Similarity NPC316598
0.6822 Remote Similarity NPC258532
0.6822 Remote Similarity NPC477127
0.6822 Remote Similarity NPC189616
0.6822 Remote Similarity NPC13149
0.6822 Remote Similarity NPC470297
0.6822 Remote Similarity NPC296950
0.6822 Remote Similarity NPC474898
0.6818 Remote Similarity NPC472666
0.6818 Remote Similarity NPC470065

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC214292 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
0.7264 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6008 Approved
0.6633 Remote Similarity NPD1694 Approved
0.6602 Remote Similarity NPD5282 Discontinued
0.6581 Remote Similarity NPD6054 Approved
0.6525 Remote Similarity NPD6015 Approved
0.6525 Remote Similarity NPD6016 Approved
0.6525 Remote Similarity NPD6921 Approved
0.65 Remote Similarity NPD3573 Approved
0.6495 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6370 Approved
0.6471 Remote Similarity NPD5988 Approved
0.6441 Remote Similarity NPD6059 Approved
0.6396 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7492 Approved
0.6355 Remote Similarity NPD4225 Approved
0.6325 Remote Similarity NPD7115 Discovery
0.6311 Remote Similarity NPD6616 Approved
0.6303 Remote Similarity NPD6319 Approved
0.629 Remote Similarity NPD7319 Approved
0.6283 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6277 Remote Similarity NPD3703 Phase 2
0.626 Remote Similarity NPD7078 Approved
0.625 Remote Similarity NPD6079 Approved
0.6238 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6228 Remote Similarity NPD4634 Approved
0.6228 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6226 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6214 Remote Similarity NPD5328 Approved
0.621 Remote Similarity NPD7736 Approved
0.6207 Remote Similarity NPD4632 Approved
0.6204 Remote Similarity NPD7638 Approved
0.6179 Remote Similarity NPD7507 Approved
0.6162 Remote Similarity NPD3667 Approved
0.6147 Remote Similarity NPD7639 Approved
0.6147 Remote Similarity NPD7640 Approved
0.6139 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6132 Remote Similarity NPD6001 Approved
0.6129 Remote Similarity NPD8293 Discontinued
0.6117 Remote Similarity NPD6903 Approved
0.61 Remote Similarity NPD4788 Approved
0.6095 Remote Similarity NPD5693 Phase 1
0.608 Remote Similarity NPD6033 Approved
0.6078 Remote Similarity NPD6684 Approved
0.6078 Remote Similarity NPD3618 Phase 1
0.6078 Remote Similarity NPD7521 Approved
0.6078 Remote Similarity NPD5330 Approved
0.6078 Remote Similarity NPD7334 Approved
0.6078 Remote Similarity NPD6409 Approved
0.6078 Remote Similarity NPD7146 Approved
0.6075 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6053 Remote Similarity NPD6686 Approved
0.605 Remote Similarity NPD6009 Approved
0.604 Remote Similarity NPD3668 Phase 3
0.604 Remote Similarity NPD4786 Approved
0.6038 Remote Similarity NPD5778 Approved
0.6038 Remote Similarity NPD5779 Approved
0.6036 Remote Similarity NPD5211 Phase 2
0.6019 Remote Similarity NPD5222 Approved
0.6019 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6019 Remote Similarity NPD5221 Approved
0.6 Remote Similarity NPD5285 Approved
0.6 Remote Similarity NPD5286 Approved
0.6 Remote Similarity NPD5207 Approved
0.6 Remote Similarity NPD4696 Approved
0.5984 Remote Similarity NPD5983 Phase 2
0.5983 Remote Similarity NPD6053 Discontinued
0.5983 Remote Similarity NPD8297 Approved
0.5965 Remote Similarity NPD5697 Approved
0.5963 Remote Similarity NPD5173 Approved
0.5963 Remote Similarity NPD4755 Approved
0.5962 Remote Similarity NPD5737 Approved
0.5962 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5962 Remote Similarity NPD6672 Approved
0.5946 Remote Similarity NPD5223 Approved
0.5943 Remote Similarity NPD6411 Approved
0.5932 Remote Similarity NPD8133 Approved
0.5929 Remote Similarity NPD5141 Approved
0.5922 Remote Similarity NPD4623 Approved
0.5922 Remote Similarity NPD4519 Discontinued
0.5922 Remote Similarity NPD6098 Approved
0.5913 Remote Similarity NPD6881 Approved
0.5913 Remote Similarity NPD7320 Approved
0.5913 Remote Similarity NPD6011 Approved
0.5913 Remote Similarity NPD6899 Approved
0.5893 Remote Similarity NPD4633 Approved
0.5893 Remote Similarity NPD5224 Approved
0.5893 Remote Similarity NPD5225 Approved
0.5893 Remote Similarity NPD5226 Approved
0.5888 Remote Similarity NPD4202 Approved
0.5888 Remote Similarity NPD6399 Phase 3
0.5887 Remote Similarity NPD7604 Phase 2
0.5882 Remote Similarity NPD3666 Approved
0.5882 Remote Similarity NPD3133 Approved
0.5882 Remote Similarity NPD3665 Phase 1
0.5877 Remote Similarity NPD7128 Approved
0.5877 Remote Similarity NPD6402 Approved
0.5877 Remote Similarity NPD6675 Approved
0.5877 Remote Similarity NPD5739 Approved
0.5872 Remote Similarity NPD4697 Phase 3
0.5862 Remote Similarity NPD6014 Approved
0.5862 Remote Similarity NPD6012 Approved
0.5862 Remote Similarity NPD6013 Approved
0.5856 Remote Similarity NPD4700 Approved
0.5854 Remote Similarity NPD8516 Approved
0.5854 Remote Similarity NPD8517 Approved
0.5854 Remote Similarity NPD8515 Approved
0.5854 Remote Similarity NPD8513 Phase 3
0.5842 Remote Similarity NPD4223 Phase 3
0.5842 Remote Similarity NPD4221 Approved
0.5841 Remote Similarity NPD5174 Approved
0.5841 Remote Similarity NPD5175 Approved
0.5833 Remote Similarity NPD7748 Approved
0.5833 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5833 Remote Similarity NPD7900 Approved
0.5826 Remote Similarity NPD5701 Approved
0.5826 Remote Similarity NPD6412 Phase 2
0.5825 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5824 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5812 Remote Similarity NPD7102 Approved
0.5812 Remote Similarity NPD7290 Approved
0.5812 Remote Similarity NPD6883 Approved
0.581 Remote Similarity NPD5208 Approved
0.5804 Remote Similarity NPD1700 Approved
0.58 Remote Similarity NPD4695 Discontinued
0.5794 Remote Similarity NPD6336 Discontinued
0.5794 Remote Similarity NPD8035 Phase 2
0.5794 Remote Similarity NPD8034 Phase 2
0.5789 Remote Similarity NPD5777 Approved
0.5785 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5773 Remote Similarity NPD3702 Approved
0.5763 Remote Similarity NPD6869 Approved
0.5763 Remote Similarity NPD6847 Approved
0.5763 Remote Similarity NPD6650 Approved
0.5763 Remote Similarity NPD6649 Approved
0.5763 Remote Similarity NPD6617 Approved
0.5763 Remote Similarity NPD8130 Phase 1
0.576 Remote Similarity NPD8328 Phase 3
0.5758 Remote Similarity NPD3617 Approved
0.5755 Remote Similarity NPD6904 Approved
0.5755 Remote Similarity NPD6080 Approved
0.5755 Remote Similarity NPD6673 Approved
0.5755 Remote Similarity NPD4753 Phase 2
0.5755 Remote Similarity NPD1695 Approved
0.5755 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5755 Remote Similarity NPD6101 Approved
0.5752 Remote Similarity NPD7632 Discontinued
0.5745 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5745 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5743 Remote Similarity NPD1779 Approved
0.5743 Remote Similarity NPD1780 Approved
0.5728 Remote Similarity NPD4197 Approved
0.5726 Remote Similarity NPD6372 Approved
0.5726 Remote Similarity NPD6373 Approved
0.5714 Remote Similarity NPD6882 Approved
0.5702 Remote Similarity NPD4754 Approved
0.5692 Remote Similarity NPD7260 Phase 2
0.569 Remote Similarity NPD7899 Clinical (unspecified phase)
0.568 Remote Similarity NPD3412 Clinical (unspecified phase)
0.5678 Remote Similarity NPD6371 Approved
0.5676 Remote Similarity NPD6084 Phase 2
0.5676 Remote Similarity NPD6083 Phase 2
0.5676 Remote Similarity NPD7902 Approved
0.5673 Remote Similarity NPD5329 Approved
0.5652 Remote Similarity NPD8170 Clinical (unspecified phase)
0.5649 Remote Similarity NPD6845 Suspended
0.5648 Remote Similarity NPD5694 Approved
0.5648 Remote Similarity NPD7983 Approved
0.5648 Remote Similarity NPD7637 Suspended
0.5648 Remote Similarity NPD7515 Phase 2
0.5641 Remote Similarity NPD4729 Approved
0.5641 Remote Similarity NPD4730 Approved
0.5638 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5638 Remote Similarity NPD5360 Phase 3
0.5636 Remote Similarity NPD4629 Approved
0.5636 Remote Similarity NPD5210 Approved
0.5636 Remote Similarity NPD5695 Phase 3
0.5635 Remote Similarity NPD6067 Discontinued
0.563 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5625 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5625 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5625 Remote Similarity NPD5696 Approved
0.5625 Remote Similarity NPD8074 Phase 3
0.5619 Remote Similarity NPD4693 Phase 3
0.5619 Remote Similarity NPD4690 Approved
0.5619 Remote Similarity NPD5690 Phase 2
0.5619 Remote Similarity NPD4138 Approved
0.5619 Remote Similarity NPD5205 Approved
0.5619 Remote Similarity NPD4688 Approved
0.5619 Remote Similarity NPD4689 Approved
0.5615 Remote Similarity NPD5956 Approved
0.5612 Remote Similarity NPD8039 Approved
0.561 Remote Similarity NPD7327 Approved
0.561 Remote Similarity NPD7328 Approved
0.5607 Remote Similarity NPD6051 Approved
0.5603 Remote Similarity NPD4768 Approved
0.5603 Remote Similarity NPD4767 Approved
0.56 Remote Similarity NPD6697 Approved
0.56 Remote Similarity NPD6114 Approved
0.56 Remote Similarity NPD6118 Approved

Structure

External Identifiers

PubChem CID   6711881
ChEMBL   CHEMBL1982919
ZINC  

Physicochemical Properties

Molecular Weight:  318.22
ALogP:  0.5497
MLogP:  3.33
XLogP:  4.282
# Rotatable Bonds:  4
Polar Surface Area:  35.53
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  23

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs