Natural Product: NPC475700

Natural Product ID:  NPC475700
Common Name:   Ochraceolide A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H44O3
Standard InCHIKey:  YCZVTFNLKYNKPH-JLHSILEKSA-N
Standard InCHI:  InChI=1S/C30H44O3/c1-17-23-19(33-25(17)32)16-27(4)14-15-29(6)18(24(23)27)8-9-21-28(5)12-11-22(31)26(2,3)20(28)10-13-30(21,29)7/h18-21,23-24H,1,8-16H2,2-7H3/t18-,19-,20+,21-,23-,24+,27+,28+,29-,30-/m1/s1
Canonical SMILES:  O=C1O[C@H]2[C@@H](C1=C)[C@H]1[C@@](C2)(C)CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)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
NPO32825 cassine xylocarpa Species Celastraceae Eukaryota dried stems Ahuachapan, El Salvado PMID[25927586]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 13740.42 nM 16562846
NPT383 Cell Line SNB-19 Homo sapiens GI50 26853.44 nM 22620987
NPT401 Cell Line 786-0 Homo sapiens GI50 13740.42 nM 12027731
NPT374 Cell Line SF-539 Homo sapiens GI50 21677.04 nM 10.1016/j.cropro.2007.04.007
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 11246.05 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 16069.41 nM 18054490
NPT2 Others Unspecified IC50 = 2200 nM 22871217
NPT81 Cell Line A549 Homo sapiens GI50 22233.1 nM 20196571
NPT369 Cell Line ACHN Homo sapiens GI50 11939.88 nM 17958396
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 Inhibition > 50 % 20450206
NPT139 Cell Line HT-29 Homo sapiens GI50 20558.91 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus IC50 = 580 nM 15056914
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 24717.24 nM 19700225
NPT403 Cell Line UACC-257 Homo sapiens GI50 14554.59 nM 20568782
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 18407.72 nM DrugMatrix in vitro pharmacology data
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 = 14800 nM 25730346
NPT168 Cell Line P388 Mus musculus IC50 = 3500 nM 25651042
NPT2345 Cell Line SW626 Homo sapiens IC50 = 35400 nM 25651042
NPT2 Others Unspecified Ratio CC50/IC50 > 2.6 16499318
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 22181.96 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 14927.94 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 9311.08 nM 25650896
NPT111 Cell Line K562 Homo sapiens GI50 4446.31 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 12531.41 nM 20146529
NPT455 Cell Line NCI-H522 Homo sapiens GI50 7328.25 nM 21067210
NPT393 Cell Line HCT-116 Homo sapiens GI50 13645.83 nM 10.1016/S0960-894X(01)80927-6
NPT402 Cell Line Hs-578T Homo sapiens GI50 31622.78 nM DrugMatrix in vitro pharmacology data
NPT380 Cell Line U-251 Homo sapiens GI50 18967.06 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 4808.39 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 22387.21 nM 26034885
NPT405 Cell Line NCI-H226 Homo sapiens GI50 20044.72 nM 25856683
NPT394 Cell Line EKVX Homo sapiens GI50 19010.78 nM 22342628
NPT367 Cell Line MDA-N Homo sapiens GI50 15310.87 nM 12608850
NPT323 Cell Line SW-620 Homo sapiens GI50 11587.77 nM 10.6019/CHEMBL1201861
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 17298.16 nM Open TG-GATES in vivo data: Biochemistry
NPT376 Cell Line A498 Homo sapiens GI50 20989.4 nM Open TG-GATES in vivo data: Biochemistry
NPT390 Cell Line LOX IMVI Homo sapiens GI50 15205.48 nM 15646539
NPT388 Cell Line NCI-H322M Homo sapiens GI50 24210.29 nM 26010585
NPT2 Others Unspecified IC50 > 44200 nM 26649766
NPT387 Cell Line M14 Homo sapiens GI50 14588.14 nM 21420296
NPT370 Cell Line NCI-H23 Homo sapiens GI50 23659.2 nM 10924160
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 2432.2 nM 23398362
NPT407 Cell Line COLO 205 Homo sapiens GI50 7194.49 nM 12193010
NPT460 Cell Line MT2 Homo sapiens CC50 > 100000 nM 12027740
NPT384 Cell Line TK-10 Homo sapiens GI50 15995.58 nM 19734910
NPT306 Cell Line PC-3 Homo sapiens GI50 14655.48 nM 21282058
NPT397 Cell Line NCI-H460 Homo sapiens GI50 18492.69 nM 23117170
NPT308 Cell Line CAKI-1 Homo sapiens GI50 13061.71 nM 25137549
NPT375 Cell Line Malme-3M Homo sapiens GI50 15776.11 nM 19006372
NPT368 Cell Line SN12C Homo sapiens GI50 17538.81 nM 24044895
NPT91 Cell Line KB Homo sapiens Inhibition = 0 % 15270579
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 23988.33 nM 11754602
NPT392 Cell Line SNB-75 Homo sapiens GI50 20653.8 nM 17432904
NPT371 Cell Line UO-31 Homo sapiens GI50 14791.08 nM 26296476
NPT762 Cell Line A-431 Homo sapiens EC50 > 20 ug/ml 9677277
NPT858 Cell Line LNCaP Homo sapiens EC50 = 13.4 ug/ml 9677277
NPT1034 Cell Line Lu1 Homo sapiens EC50 = 16.1 ug/ml 9677277
NPT147 Cell Line SK-MEL-2 Homo sapiens EC50 > 20 ug/ml 9677277
NPT91 Cell Line KB Homo sapiens EC50 > 20 ug/ml 9677277
NPT2 Others Unspecified EC50 = 17.2 ug/ml 9677277
NPT2 Others Unspecified IC50 > 100 ug/ml 9677277
NPT2 Others Unspecified EC50 = 7.9 ug/ml 12193037
NPT2049 Cell Line HT Homo sapiens EC50 = 8.6 ug/ml 8482949
NPT2 Others Unspecified ED50 > 20 ug/ml 20695474
NPT2 Others Unspecified ED50 = 2.7 ug/ml 20695474
NPT2 Others Unspecified ED50 = 6.8 ug/ml 20695474
NPT2 Others Unspecified ED50 = 10 ug/ml 20695474
NPT168 Cell Line P388 Mus musculus ED50 = 0.26 ug/ml 20695474
NPT148 Cell Line HCT-15 Homo sapiens GI50 12502.59 nM 18760509
NPT83 Cell Line MCF7 Homo sapiens IC50 = 16600 nM 18838598
NPT1034 Cell Line Lu1 Homo sapiens IC50 = 24300 nM 18838598
NPT91 Cell Line KB Homo sapiens IC50 = 20400 nM 18838598
NPT1851 Cell Line Col2 Homo sapiens IC50 = 19200 nM 18838598
NPT858 Cell Line LNCaP Homo sapiens IC50 = 13100 nM 18838598
NPT2 Others Unspecified IC50 = 32300 nM 18838598
NPT391 Cell Line HCC 2998 Homo sapiens GI50 19230.92 nM DrugMatrix in vitro pharmacology data
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 18879.91 nM DrugMatrix in vitro pharmacology data
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 = 39000 nM 20022253
NPT116 Cell Line HL-60 Homo sapiens GI50 1633.05 nM DrugMatrix in vivo data: Hematology
NPT399 Cell Line SF-295 Homo sapiens GI50 17782.79 nM 20192247
NPT2 Others Unspecified EC50 = 6.7 ug/ml DrugMatrix in vitro pharmacology data
NPT133 Cell Line ZR-75-1 Homo sapiens EC50 = 4.5 ug/ml DrugMatrix in vitro pharmacology data
NPT1851 Cell Line Col2 Homo sapiens EC50 > 20 ug/ml DrugMatrix in vitro pharmacology data
NPT398 Cell Line UACC-62 Homo sapiens GI50 16865.53 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 22181.96 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 18323.14 nM 18183025
NPT406 Cell Line RXF 393 Homo sapiens GI50 16595.87 nM 19654408
NPT379 Cell Line HOP-62 Homo sapiens GI50 23496.33 nM 22014827
NPT112 Cell Line MOLT-4 Homo sapiens GI50 2312.06 nM 3959033
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 2098.94 nM DrugMatrix in vitro pharmacology data
NPT91 Cell Line KB Homo sapiens Inhibition = 0 % 17908946
NPT90 Cell Line DU-145 Homo sapiens GI50 17947.34 nM PubChem BioAssay data set
NPT2 Others Unspecified ED50 = 12 ug/ml DrugMatrix in vivo data: Pathology
NPT453 Cell Line HT-1080 Homo sapiens ED50 = 2.6 ug/ml DrugMatrix in vivo data: Pathology
NPT2 Others Unspecified ED50 = 8.3 ug/ml DrugMatrix in vivo data: Pathology
NPT32 Organism Mus musculus Mus musculus Activity = 0.5 ug 19419860
NPT396 Cell Line T47D Homo sapiens GI50 10592.54 nM 19564371
NPT458 Cell Line IGROV-1 Homo sapiens GI50 18663.8 nM 18955520
NPT386 Cell Line KM12 Homo sapiens GI50 19230.92 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 NPC475700 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
0.9773 High Similarity NPC280877
0.9053 High Similarity NPC221421
0.8736 High Similarity NPC170862
0.8488 Intermediate Similarity NPC471475
0.8462 Intermediate Similarity NPC28227
0.8444 Intermediate Similarity NPC472505
0.8372 Intermediate Similarity NPC63020
0.8247 Intermediate Similarity NPC252295
0.8242 Intermediate Similarity NPC471042
0.8229 Intermediate Similarity NPC307164
0.8222 Intermediate Similarity NPC475509
0.8202 Intermediate Similarity NPC476458
0.8202 Intermediate Similarity NPC226988
0.8202 Intermediate Similarity NPC258153
0.8182 Intermediate Similarity NPC170038
0.8132 Intermediate Similarity NPC98270
0.8132 Intermediate Similarity NPC470223
0.8111 Intermediate Similarity NPC472740
0.8111 Intermediate Similarity NPC245866
0.8068 Intermediate Similarity NPC118987
0.8061 Intermediate Similarity NPC473155
0.8061 Intermediate Similarity NPC176845
0.8043 Intermediate Similarity NPC470051
0.8043 Intermediate Similarity NPC195640
0.8043 Intermediate Similarity NPC470050
0.8041 Intermediate Similarity NPC322063
0.8022 Intermediate Similarity NPC219011
0.8022 Intermediate Similarity NPC263974
0.8021 Intermediate Similarity NPC100257
0.8021 Intermediate Similarity NPC224410
0.798 Intermediate Similarity NPC476303
0.798 Intermediate Similarity NPC470906
0.7979 Intermediate Similarity NPC288699
0.7961 Intermediate Similarity NPC61411
0.7959 Intermediate Similarity NPC475894
0.7957 Intermediate Similarity NPC175293
0.7938 Intermediate Similarity NPC210214
0.7938 Intermediate Similarity NPC33473
0.7935 Intermediate Similarity NPC323765
0.7917 Intermediate Similarity NPC229976
0.7912 Intermediate Similarity NPC194637
0.79 Intermediate Similarity NPC474327
0.79 Intermediate Similarity NPC310981
0.7895 Intermediate Similarity NPC273199
0.7889 Intermediate Similarity NPC38642
0.7879 Intermediate Similarity NPC153792
0.7879 Intermediate Similarity NPC271387
0.7872 Intermediate Similarity NPC474845
0.7872 Intermediate Similarity NPC4309
0.7872 Intermediate Similarity NPC474719
0.7865 Intermediate Similarity NPC192744
0.7849 Intermediate Similarity NPC9231
0.7849 Intermediate Similarity NPC80590
0.7849 Intermediate Similarity NPC85698
0.7849 Intermediate Similarity NPC12774
0.7826 Intermediate Similarity NPC470011
0.7826 Intermediate Similarity NPC100391
0.7822 Intermediate Similarity NPC15396
0.7812 Intermediate Similarity NPC190442
0.7812 Intermediate Similarity NPC160506
0.7812 Intermediate Similarity NPC218301
0.7802 Intermediate Similarity NPC170985
0.78 Intermediate Similarity NPC201406
0.7791 Intermediate Similarity NPC279241
0.7789 Intermediate Similarity NPC285982
0.7789 Intermediate Similarity NPC177141
0.7789 Intermediate Similarity NPC471043
0.7789 Intermediate Similarity NPC11611
0.7778 Intermediate Similarity NPC293418
0.7778 Intermediate Similarity NPC6823
0.7778 Intermediate Similarity NPC290508
0.7778 Intermediate Similarity NPC73052
0.7766 Intermediate Similarity NPC134197
0.7766 Intermediate Similarity NPC305029
0.7766 Intermediate Similarity NPC181103
0.7766 Intermediate Similarity NPC33768
0.7755 Intermediate Similarity NPC469599
0.7745 Intermediate Similarity NPC470310
0.7745 Intermediate Similarity NPC176883
0.7745 Intermediate Similarity NPC476237
0.7742 Intermediate Similarity NPC264317
0.7742 Intermediate Similarity NPC201655
0.7742 Intermediate Similarity NPC294438
0.7732 Intermediate Similarity NPC294263
0.7717 Intermediate Similarity NPC470047
0.7717 Intermediate Similarity NPC470046
0.7717 Intermediate Similarity NPC54468
0.7717 Intermediate Similarity NPC175410
0.7717 Intermediate Similarity NPC471037
0.7708 Intermediate Similarity NPC475776
0.7701 Intermediate Similarity NPC475517
0.7701 Intermediate Similarity NPC474524
0.77 Intermediate Similarity NPC78427
0.77 Intermediate Similarity NPC16911
0.77 Intermediate Similarity NPC98868
0.7692 Intermediate Similarity NPC474484
0.7692 Intermediate Similarity NPC103754
0.7692 Intermediate Similarity NPC232625
0.7684 Intermediate Similarity NPC472739
0.7684 Intermediate Similarity NPC183374
0.7684 Intermediate Similarity NPC215831
0.7684 Intermediate Similarity NPC16377
0.7684 Intermediate Similarity NPC211162
0.7684 Intermediate Similarity NPC226863
0.7677 Intermediate Similarity NPC13949
0.767 Intermediate Similarity NPC310586
0.767 Intermediate Similarity NPC228669
0.767 Intermediate Similarity NPC189616
0.767 Intermediate Similarity NPC164835
0.7667 Intermediate Similarity NPC305835
0.7667 Intermediate Similarity NPC201459
0.766 Intermediate Similarity NPC70661
0.766 Intermediate Similarity NPC264127
0.766 Intermediate Similarity NPC2783
0.766 Intermediate Similarity NPC472738
0.766 Intermediate Similarity NPC185638
0.7653 Intermediate Similarity NPC294266
0.7653 Intermediate Similarity NPC303863
0.7647 Intermediate Similarity NPC170615
0.764 Intermediate Similarity NPC471035
0.764 Intermediate Similarity NPC212661
0.764 Intermediate Similarity NPC68828
0.7634 Intermediate Similarity NPC312660
0.7634 Intermediate Similarity NPC475745
0.7634 Intermediate Similarity NPC474482
0.7629 Intermediate Similarity NPC470230
0.7629 Intermediate Similarity NPC475416
0.7629 Intermediate Similarity NPC154101
0.7629 Intermediate Similarity NPC150383
0.7629 Intermediate Similarity NPC471901
0.7629 Intermediate Similarity NPC250753
0.7624 Intermediate Similarity NPC287676
0.7609 Intermediate Similarity NPC178676
0.7604 Intermediate Similarity NPC73995
0.7604 Intermediate Similarity NPC116620
0.7604 Intermediate Similarity NPC283409
0.7604 Intermediate Similarity NPC116146
0.7604 Intermediate Similarity NPC24772
0.76 Intermediate Similarity NPC257726
0.76 Intermediate Similarity NPC151488
0.76 Intermediate Similarity NPC187159
0.76 Intermediate Similarity NPC292133
0.76 Intermediate Similarity NPC204054
0.7582 Intermediate Similarity NPC304194
0.7579 Intermediate Similarity NPC167877
0.7579 Intermediate Similarity NPC269360
0.7579 Intermediate Similarity NPC264005
0.7579 Intermediate Similarity NPC24728
0.7579 Intermediate Similarity NPC470012
0.7576 Intermediate Similarity NPC98639
0.7576 Intermediate Similarity NPC281134
0.7573 Intermediate Similarity NPC254202
0.7573 Intermediate Similarity NPC36688
0.7573 Intermediate Similarity NPC36321
0.7573 Intermediate Similarity NPC112009
0.7573 Intermediate Similarity NPC180204
0.757 Intermediate Similarity NPC470311
0.7553 Intermediate Similarity NPC474971
0.7553 Intermediate Similarity NPC292553
0.7553 Intermediate Similarity NPC110405
0.7553 Intermediate Similarity NPC137493
0.7553 Intermediate Similarity NPC102292
0.7551 Intermediate Similarity NPC224060
0.7551 Intermediate Similarity NPC474185
0.7551 Intermediate Similarity NPC244356
0.7551 Intermediate Similarity NPC470224
0.7551 Intermediate Similarity NPC471902
0.7551 Intermediate Similarity NPC473690
0.7551 Intermediate Similarity NPC287118
0.7551 Intermediate Similarity NPC169343
0.7551 Intermediate Similarity NPC475657
0.7549 Intermediate Similarity NPC289148
0.7549 Intermediate Similarity NPC163963
0.7549 Intermediate Similarity NPC52899
0.7549 Intermediate Similarity NPC99411
0.7528 Intermediate Similarity NPC92489
0.7527 Intermediate Similarity NPC22611
0.7527 Intermediate Similarity NPC245665
0.7527 Intermediate Similarity NPC472743
0.7527 Intermediate Similarity NPC472498
0.7527 Intermediate Similarity NPC475726
0.7526 Intermediate Similarity NPC469595
0.7526 Intermediate Similarity NPC76286
0.7526 Intermediate Similarity NPC198818
0.7526 Intermediate Similarity NPC152467
0.7526 Intermediate Similarity NPC159748
0.7526 Intermediate Similarity NPC101651
0.7526 Intermediate Similarity NPC8062
0.7526 Intermediate Similarity NPC212679
0.7526 Intermediate Similarity NPC220454
0.7525 Intermediate Similarity NPC469986
0.7524 Intermediate Similarity NPC470952
0.7524 Intermediate Similarity NPC91034
0.75 Intermediate Similarity NPC475951
0.75 Intermediate Similarity NPC143979
0.75 Intermediate Similarity NPC29410
0.75 Intermediate Similarity NPC58052
0.75 Intermediate Similarity NPC97884
0.75 Intermediate Similarity NPC200054
0.75 Intermediate Similarity NPC100267

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475700 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
0.8261 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD6903 Approved
0.8043 Intermediate Similarity NPD5330 Approved
0.8043 Intermediate Similarity NPD7334 Approved
0.8043 Intermediate Similarity NPD6684 Approved
0.8043 Intermediate Similarity NPD7146 Approved
0.8043 Intermediate Similarity NPD7521 Approved
0.8043 Intermediate Similarity NPD6409 Approved
0.7812 Intermediate Similarity NPD8034 Phase 2
0.7812 Intermediate Similarity NPD8035 Phase 2
0.7755 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD4788 Approved
0.7674 Intermediate Similarity NPD5777 Approved
0.7629 Intermediate Similarity NPD5693 Phase 1
0.7551 Intermediate Similarity NPD6399 Phase 3
0.7526 Intermediate Similarity NPD5207 Approved
0.75 Intermediate Similarity NPD5737 Approved
0.75 Intermediate Similarity NPD6672 Approved
0.7475 Intermediate Similarity NPD6001 Approved
0.7474 Intermediate Similarity NPD6098 Approved
0.7429 Intermediate Similarity NPD6008 Approved
0.7423 Intermediate Similarity NPD6080 Approved
0.7423 Intermediate Similarity NPD6904 Approved
0.7423 Intermediate Similarity NPD6673 Approved
0.732 Intermediate Similarity NPD5208 Approved
0.73 Intermediate Similarity NPD7900 Approved
0.73 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD6084 Phase 2
0.7255 Intermediate Similarity NPD6083 Phase 2
0.7245 Intermediate Similarity NPD6051 Approved
0.7234 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD1694 Approved
0.7184 Intermediate Similarity NPD5696 Approved
0.7184 Intermediate Similarity NPD7638 Approved
0.7129 Intermediate Similarity NPD7748 Approved
0.7115 Intermediate Similarity NPD7639 Approved
0.7115 Intermediate Similarity NPD7640 Approved
0.71 Intermediate Similarity NPD6050 Approved
0.7087 Intermediate Similarity NPD7902 Approved
0.7083 Intermediate Similarity NPD3665 Phase 1
0.7083 Intermediate Similarity NPD3666 Approved
0.7083 Intermediate Similarity NPD4786 Approved
0.7083 Intermediate Similarity NPD3133 Approved
0.708 Intermediate Similarity NPD7115 Discovery
0.7075 Intermediate Similarity NPD6052 Approved
0.7059 Intermediate Similarity NPD5695 Phase 3
0.7 Intermediate Similarity NPD5692 Phase 3
0.6972 Remote Similarity NPD6899 Approved
0.6972 Remote Similarity NPD7320 Approved
0.6972 Remote Similarity NPD6881 Approved
0.6944 Remote Similarity NPD5739 Approved
0.6944 Remote Similarity NPD6675 Approved
0.6944 Remote Similarity NPD7128 Approved
0.6944 Remote Similarity NPD6402 Approved
0.6937 Remote Similarity NPD6650 Approved
0.6937 Remote Similarity NPD6649 Approved
0.6931 Remote Similarity NPD5694 Approved
0.6931 Remote Similarity NPD7515 Phase 2
0.6909 Remote Similarity NPD6373 Approved
0.6909 Remote Similarity NPD6372 Approved
0.6881 Remote Similarity NPD5697 Approved
0.6875 Remote Similarity NPD3667 Approved
0.6875 Remote Similarity NPD4221 Approved
0.6875 Remote Similarity NPD4223 Phase 3
0.6848 Remote Similarity NPD3702 Approved
0.6847 Remote Similarity NPD7290 Approved
0.6847 Remote Similarity NPD7102 Approved
0.6847 Remote Similarity NPD6883 Approved
0.6837 Remote Similarity NPD5329 Approved
0.6832 Remote Similarity NPD5785 Approved
0.6818 Remote Similarity NPD6011 Approved
0.6786 Remote Similarity NPD8130 Phase 1
0.6786 Remote Similarity NPD6847 Approved
0.6786 Remote Similarity NPD6617 Approved
0.6786 Remote Similarity NPD6869 Approved
0.6778 Remote Similarity NPD4245 Approved
0.6778 Remote Similarity NPD4244 Approved
0.6768 Remote Similarity NPD3618 Phase 1
0.6765 Remote Similarity NPD5284 Approved
0.6765 Remote Similarity NPD5281 Approved
0.6765 Remote Similarity NPD6079 Approved
0.6757 Remote Similarity NPD6014 Approved
0.6757 Remote Similarity NPD6013 Approved
0.6757 Remote Similarity NPD6012 Approved
0.6739 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6735 Remote Similarity NPD4197 Approved
0.6735 Remote Similarity NPD3668 Phase 3
0.6733 Remote Similarity NPD1695 Approved
0.6733 Remote Similarity NPD4753 Phase 2
0.6733 Remote Similarity NPD5328 Approved
0.6731 Remote Similarity NPD4629 Approved
0.6731 Remote Similarity NPD5210 Approved
0.6727 Remote Similarity NPD6614 Approved
0.6727 Remote Similarity NPD5701 Approved
0.6726 Remote Similarity NPD8297 Approved
0.6726 Remote Similarity NPD6882 Approved
0.67 Remote Similarity NPD3573 Approved
0.6699 Remote Similarity NPD4202 Approved
0.6667 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD7094 Approved
0.6667 Remote Similarity NPD3698 Phase 2
0.6667 Remote Similarity NPD6858 Approved
0.6667 Remote Similarity NPD8133 Approved
0.6637 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6612 Remote Similarity NPD7507 Approved
0.66 Remote Similarity NPD4688 Approved
0.66 Remote Similarity NPD4138 Approved
0.66 Remote Similarity NPD5205 Approved
0.66 Remote Similarity NPD4689 Approved
0.66 Remote Similarity NPD5690 Phase 2
0.66 Remote Similarity NPD4690 Approved
0.66 Remote Similarity NPD4693 Phase 3
0.6596 Remote Similarity NPD6117 Approved
0.6583 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6579 Remote Similarity NPD6053 Discontinued
0.6577 Remote Similarity NPD6412 Phase 2
0.6571 Remote Similarity NPD5654 Approved
0.6555 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6542 Remote Similarity NPD4225 Approved
0.6526 Remote Similarity NPD6116 Phase 1
0.6522 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6081 Approved
0.6517 Remote Similarity NPD4224 Phase 2
0.6514 Remote Similarity NPD5211 Phase 2
0.6504 Remote Similarity NPD7736 Approved
0.6481 Remote Similarity NPD4696 Approved
0.6481 Remote Similarity NPD5285 Approved
0.6481 Remote Similarity NPD5286 Approved
0.6465 Remote Similarity NPD5362 Discontinued
0.6458 Remote Similarity NPD6114 Approved
0.6458 Remote Similarity NPD6697 Approved
0.6458 Remote Similarity NPD6115 Approved
0.6458 Remote Similarity NPD6118 Approved
0.6452 Remote Similarity NPD7319 Approved
0.6449 Remote Similarity NPD4755 Approved
0.6449 Remote Similarity NPD5959 Approved
0.6441 Remote Similarity NPD6335 Approved
0.6436 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5280 Approved
0.6436 Remote Similarity NPD5279 Phase 3
0.6436 Remote Similarity NPD4694 Approved
0.6422 Remote Similarity NPD5223 Approved
0.6415 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6413 Remote Similarity NPD4691 Approved
0.6413 Remote Similarity NPD4747 Approved
0.6413 Remote Similarity NPD4789 Approved
0.641 Remote Similarity NPD6274 Approved
0.6408 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6396 Remote Similarity NPD5141 Approved
0.6393 Remote Similarity NPD7492 Approved
0.6392 Remote Similarity NPD4195 Approved
0.6387 Remote Similarity NPD7100 Approved
0.6387 Remote Similarity NPD7101 Approved
0.6379 Remote Similarity NPD4632 Approved
0.6372 Remote Similarity NPD6686 Approved
0.6364 Remote Similarity NPD4633 Approved
0.6364 Remote Similarity NPD5225 Approved
0.6364 Remote Similarity NPD5224 Approved
0.6364 Remote Similarity NPD5226 Approved
0.6356 Remote Similarity NPD6317 Approved
0.6355 Remote Similarity NPD5221 Approved
0.6355 Remote Similarity NPD4697 Phase 3
0.6355 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6355 Remote Similarity NPD7732 Phase 3
0.6355 Remote Similarity NPD5222 Approved
0.6341 Remote Similarity NPD6616 Approved
0.6337 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6337 Remote Similarity NPD5363 Approved
0.6333 Remote Similarity NPD6054 Approved
0.633 Remote Similarity NPD4700 Approved
0.6306 Remote Similarity NPD5174 Approved
0.6306 Remote Similarity NPD5175 Approved
0.6304 Remote Similarity NPD4137 Phase 3
0.6304 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6304 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6303 Remote Similarity NPD6313 Approved
0.6303 Remote Similarity NPD7328 Approved
0.6303 Remote Similarity NPD7327 Approved
0.6303 Remote Similarity NPD6314 Approved
0.6296 Remote Similarity NPD5173 Approved
0.629 Remote Similarity NPD7078 Approved
0.6289 Remote Similarity NPD3617 Approved
0.6281 Remote Similarity NPD8033 Approved
0.6271 Remote Similarity NPD6868 Approved
0.6263 Remote Similarity NPD5369 Approved
0.6263 Remote Similarity NPD4692 Approved
0.6263 Remote Similarity NPD4139 Approved
0.625 Remote Similarity NPD7516 Approved
0.625 Remote Similarity NPD3701 Clinical (unspecified phase)
0.623 Remote Similarity NPD6370 Approved
0.6222 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6218 Remote Similarity NPD6009 Approved
0.6211 Remote Similarity NPD4058 Approved
0.6211 Remote Similarity NPD5733 Approved
0.6204 Remote Similarity NPD5349 Clinical (unspecified phase)
0.62 Remote Similarity NPD4269 Approved
0.62 Remote Similarity NPD4270 Approved
0.6198 Remote Similarity NPD8294 Approved

Structure

External Identifiers

PubChem CID   386922
ChEMBL   CHEMBL512065
ZINC  

Physicochemical Properties

Molecular Weight:  452.33
ALogP:  2.7619
MLogP:  4.43
XLogP:  8.785
# Rotatable Bonds:  6
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  33

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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