Natural Product: NPC473389

Natural Product ID:  NPC473389
Common Name:   Penitrem A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C37H44ClNO6
Standard InCHIKey:  JDUWHZOLEDOQSR-OBPHCMCKSA-N
Standard InCHI:  InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31-,33+,34+,35-,36+,37+/m0/s1
Canonical SMILES:  CC(=C)[C@H]1O[C@H]2CC[C@]3([C@@]([C@@]42[C@H]([C@H]1O)O4)(O)CC[C@@H]1[C@]3(C)c2[nH]c3c4c2[C@H]1OC(C)(C)[C@@H]1[C@]2(c4c(c(c3)Cl)CC(=C)[C@H]2C1)O)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
NPO13779 Penicillium crustosum Species Aspergillaceae Eukaryota PMID[12670149]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT784 Cell Line MDA-MB-468 Homo sapiens GI = 69.62 % 10579838
NPT1892 Cell Line H4 Rattus norvegicus Activity = 92.88 % 12193010
NPT83 Cell Line MCF7 Homo sapiens IC50 = 11900 nM 16124780
NPT1892 Cell Line H4 Rattus norvegicus Activity = 141.83 % 22703109
NPT370 Cell Line NCI-H23 Homo sapiens GI = 88.64 % 20620056
NPT405 Cell Line NCI-H226 Homo sapiens GI = 76.82 % 20620056
NPT379 Cell Line HOP-62 Homo sapiens GI = 106.61 % 20185316
NPT2 Others Unspecified GI = 104.55 % PubChem BioAssay data set
NPT2 Others Unspecified GI = 92.6 % PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI = 74.9 % PubChem BioAssay data set
NPT2 Others Unspecified GI = 74.88 % PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI = 75.2 % PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI = 93.08 % PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI = 109.33 % PubChem BioAssay data set
NPT2 Others Unspecified GI = 83.22 % PubChem BioAssay data set
NPT2 Others Unspecified GI = 76.17 % PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI = 68.34 % PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI = 57.13 % DrugMatrix in vivo data: Pathology
NPT308 Cell Line CAKI-1 Homo sapiens GI = 35.46 % DrugMatrix in vivo data: Pathology
NPT83 Cell Line MCF7 Homo sapiens GI = 55.83 % DrugMatrix in vivo data: Pathology
NPT6649 Organism Ceratitis capitata Ceratitis capitata Activity = 0 % 23691952
NPT1892 Cell Line H4 Rattus norvegicus Activity = 132.13 % PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens Inhibition > 75 % PubChem BioAssay data set
NPT1892 Cell Line H4 Rattus norvegicus Activity = 72.71 % 10.6019/CHEMBL1201861
NPT1892 Cell Line H4 Rattus norvegicus Activity = 87.41 % 10.6019/CHEMBL1201861
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 9800 nM 18260638
NPT2 Others Unspecified GI = 76.35 % 18680278
NPT75 Cell Line U251 Homo sapiens GI = 85.11 % 16989516
NPT392 Cell Line SNB-75 Homo sapiens GI = 53.69 % 16989516
NPT375 Cell Line Malme-3M Homo sapiens GI = 43.17 % 16989516
NPT390 Cell Line LOX IMVI Homo sapiens GI = 79.42 % 16989516
NPT170 Cell Line SK-MEL-28 Homo sapiens GI = 83.44 % 25237727
NPT147 Cell Line SK-MEL-2 Homo sapiens GI = 95.12 % 25237727
NPT383 Cell Line SNB-19 Homo sapiens GI = 67.73 % 25237727
NPT374 Cell Line SF-539 Homo sapiens GI = 88.97 % 25237727
NPT6649 Organism Ceratitis capitata Ceratitis capitata Activity = 78.4 % 17850214
NPT1892 Cell Line H4 Rattus norvegicus Activity = 126.09 % 10.6019/CHEMBL1201861
NPT2 Others Unspecified EC50 = 980 nM 21955940
NPT83 Cell Line MCF7 Homo sapiens IC50 = 11900 nM 21955940
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 8700 nM 7528786
NPT1892 Cell Line H4 Rattus norvegicus Activity = 121.4 % 19581457
NPT400 Cell Line MDA-MB-435 Homo sapiens GI = 52.93 % 25016227
NPT1892 Cell Line H4 Rattus norvegicus Activity = 166.85 % 9358643
NPT1892 Cell Line H4 Rattus norvegicus Activity = 163.15 % 9358643
NPT1892 Cell Line H4 Rattus norvegicus Activity = 146.36 % 9358643
NPT139 Cell Line HT-29 Homo sapiens GI = 86.88 % 19921834
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 9800 nM 17188868
NPT391 Cell Line HCC 2998 Homo sapiens GI = 77 % 20961767
NPT388 Cell Line NCI-H322M Homo sapiens GI = 65.21 % 19637893
NPT397 Cell Line NCI-H460 Homo sapiens GI = 85.49 % 20206533
NPT111 Cell Line K562 Homo sapiens GI = 66.1 % 20206533
NPT112 Cell Line MOLT-4 Homo sapiens GI = 53.21 % 20131843
NPT385 Cell Line SR Homo sapiens GI = 45.98 % 20131843
NPT455 Cell Line NCI-H522 Homo sapiens GI = 77.06 % 20131843
NPT407 Cell Line COLO 205 Homo sapiens GI = 91.33 % 20131843
NPT393 Cell Line HCT-116 Homo sapiens GI = 67.4 % 20206517
NPT2 Others Unspecified GI = 78.73 % 20329733
NPT32 Organism Mus musculus Mus musculus EC50 = 0.25 mg/kg 16252924
NPT2212 Organism Oncopeltus fasciatus Oncopeltus fasciatus Survival = 0 % 24084296
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 8700 nM 10843594
NPT323 Cell Line SW-620 Homo sapiens GI = 93.29 % 25856683
NPT395 Cell Line SF-268 Homo sapiens GI = 71 % 11858750
NPT404 Cell Line CCRF-CEM Homo sapiens GI = 57.2 % 11858750
NPT386 Cell Line KM12 Homo sapiens GI = 71.48 % 12502327
NPT81 Cell Line A549 Homo sapiens GI = 73.7 % 19008110
NPT116 Cell Line HL-60 Homo sapiens GI = 74.68 % 20472446
NPT387 Cell Line M14 Homo sapiens GI = 62.56 % 19459643
NPT1892 Cell Line H4 Rattus norvegicus Activity = 93.08 % DrugMatrix in vitro pharmacology data
NPT384 Cell Line TK-10 Homo sapiens GI = 98.57 % DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified GI = 41.05 % DrugMatrix in vitro pharmacology data
NPT306 Cell Line PC-3 Homo sapiens GI = 39.28 % DrugMatrix in vitro pharmacology data
NPT90 Cell Line DU-145 Homo sapiens GI = 85.55 % DrugMatrix in vitro pharmacology data
NPT82 Cell Line MDA-MB-231 Homo sapiens GI = 97.51 % DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified GI = 93.98 % DrugMatrix in vitro pharmacology data
NPT457 Cell Line BT-549 Homo sapiens GI = 98.16 % DrugMatrix in vitro pharmacology data
NPT396 Cell Line T47D Homo sapiens GI = 73.91 % DrugMatrix in vitro pharmacology data
NPT406 Cell Line RXF 393 Homo sapiens GI = 76.52 % DrugMatrix in vitro pharmacology data
NPT368 Cell Line SN12C Homo sapiens GI = 73.32 % DrugMatrix in vitro pharmacology data
NPT6649 Organism Ceratitis capitata Ceratitis capitata Activity = 100 % 18955520

  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 NPC473389 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
0.9954 High Similarity NPC199259
0.9587 High Similarity NPC188239
0.9087 High Similarity NPC249342
0.8829 High Similarity NPC470873
0.8727 High Similarity NPC470874
0.7339 Intermediate Similarity NPC470843
0.7339 Intermediate Similarity NPC94541
0.7257 Intermediate Similarity NPC231342
0.7238 Intermediate Similarity NPC61813
0.7113 Intermediate Similarity NPC96131
0.7112 Intermediate Similarity NPC477135
0.7073 Intermediate Similarity NPC471634
0.7073 Intermediate Similarity NPC473806
0.7064 Intermediate Similarity NPC61637
0.7029 Intermediate Similarity NPC160527
0.7029 Intermediate Similarity NPC473650
0.6983 Remote Similarity NPC475476
0.6983 Remote Similarity NPC242446
0.6976 Remote Similarity NPC282033
0.6958 Remote Similarity NPC471284
0.6951 Remote Similarity NPC475424
0.6951 Remote Similarity NPC79107
0.6947 Remote Similarity NPC119700
0.6946 Remote Similarity NPC235900
0.694 Remote Similarity NPC32200
0.6916 Remote Similarity NPC34271
0.6904 Remote Similarity NPC250129
0.6862 Remote Similarity NPC475165
0.6835 Remote Similarity NPC187456
0.6818 Remote Similarity NPC97388
0.6814 Remote Similarity NPC165201
0.681 Remote Similarity NPC205403
0.6777 Remote Similarity NPC473547
0.6766 Remote Similarity NPC475151
0.6726 Remote Similarity NPC302191
0.6723 Remote Similarity NPC476175
0.6681 Remote Similarity NPC473747
0.6681 Remote Similarity NPC198339
0.668 Remote Similarity NPC473565
0.668 Remote Similarity NPC112547
0.6627 Remote Similarity NPC41318
0.6627 Remote Similarity NPC469312
0.6626 Remote Similarity NPC204303
0.6625 Remote Similarity NPC18661
0.6587 Remote Similarity NPC183426
0.6569 Remote Similarity NPC123019
0.6559 Remote Similarity NPC314552
0.6491 Remote Similarity NPC6093
0.6489 Remote Similarity NPC472842
0.6475 Remote Similarity NPC284102
0.6473 Remote Similarity NPC154293
0.646 Remote Similarity NPC97525
0.6458 Remote Similarity NPC1203
0.6445 Remote Similarity NPC477531
0.6431 Remote Similarity NPC252251
0.6422 Remote Similarity NPC476319
0.642 Remote Similarity NPC476106
0.6407 Remote Similarity NPC472444
0.6407 Remote Similarity NPC19679
0.6406 Remote Similarity NPC209174
0.6383 Remote Similarity NPC206967
0.6381 Remote Similarity NPC131273
0.6381 Remote Similarity NPC473441
0.6331 Remote Similarity NPC48353
0.6328 Remote Similarity NPC57690
0.6327 Remote Similarity NPC193777
0.6324 Remote Similarity NPC477532
0.6312 Remote Similarity NPC37473
0.6308 Remote Similarity NPC277351
0.6298 Remote Similarity NPC278540
0.6293 Remote Similarity NPC192270
0.6277 Remote Similarity NPC472443
0.6277 Remote Similarity NPC270009
0.6274 Remote Similarity NPC471583
0.6274 Remote Similarity NPC471782
0.6271 Remote Similarity NPC46413
0.6265 Remote Similarity NPC476492
0.6255 Remote Similarity NPC267423
0.6255 Remote Similarity NPC476044
0.6255 Remote Similarity NPC107836
0.625 Remote Similarity NPC141428
0.6241 Remote Similarity NPC284141
0.6241 Remote Similarity NPC311451
0.624 Remote Similarity NPC475602
0.624 Remote Similarity NPC478074
0.623 Remote Similarity NPC249428
0.6224 Remote Similarity NPC153042
0.6213 Remote Similarity NPC473189
0.6211 Remote Similarity NPC473667
0.621 Remote Similarity NPC201697
0.6208 Remote Similarity NPC181502
0.6208 Remote Similarity NPC85066
0.6203 Remote Similarity NPC246700
0.6198 Remote Similarity NPC177056
0.6192 Remote Similarity NPC290529
0.619 Remote Similarity NPC204491
0.6187 Remote Similarity NPC98371
0.6187 Remote Similarity NPC475498
0.6187 Remote Similarity NPC313884
0.6187 Remote Similarity NPC475137
0.6187 Remote Similarity NPC473850
0.6185 Remote Similarity NPC234999
0.6181 Remote Similarity NPC216428
0.6178 Remote Similarity NPC471190
0.6178 Remote Similarity NPC471977
0.6178 Remote Similarity NPC475362
0.6178 Remote Similarity NPC475644
0.6178 Remote Similarity NPC470486
0.6176 Remote Similarity NPC106833
0.6176 Remote Similarity NPC469497
0.6171 Remote Similarity NPC471564
0.6169 Remote Similarity NPC30456
0.6167 Remote Similarity NPC79293
0.6167 Remote Similarity NPC279401
0.6164 Remote Similarity NPC293472
0.6163 Remote Similarity NPC200888
0.6163 Remote Similarity NPC475085
0.6163 Remote Similarity NPC291535
0.6163 Remote Similarity NPC267926
0.6163 Remote Similarity NPC475112
0.6157 Remote Similarity NPC243834
0.6157 Remote Similarity NPC70956
0.6148 Remote Similarity NPC250807
0.6148 Remote Similarity NPC266192
0.6148 Remote Similarity NPC76565
0.6148 Remote Similarity NPC57797
0.6147 Remote Similarity NPC472586
0.6145 Remote Similarity NPC70155
0.6145 Remote Similarity NPC237702
0.6145 Remote Similarity NPC473182
0.6142 Remote Similarity NPC469594
0.6142 Remote Similarity NPC62367
0.6139 Remote Similarity NPC146824
0.6139 Remote Similarity NPC328186
0.6139 Remote Similarity NPC110151
0.6139 Remote Similarity NPC122968
0.6139 Remote Similarity NPC477787
0.6139 Remote Similarity NPC476110
0.6139 Remote Similarity NPC475600
0.6139 Remote Similarity NPC228377
0.6139 Remote Similarity NPC475631
0.6139 Remote Similarity NPC87152
0.6135 Remote Similarity NPC475778
0.6135 Remote Similarity NPC472553
0.6134 Remote Similarity NPC128751
0.6131 Remote Similarity NPC476514
0.613 Remote Similarity NPC473689
0.613 Remote Similarity NPC475303
0.613 Remote Similarity NPC475596
0.613 Remote Similarity NPC316841
0.613 Remote Similarity NPC292416
0.6128 Remote Similarity NPC217554
0.6126 Remote Similarity NPC30570
0.6126 Remote Similarity NPC477907
0.6126 Remote Similarity NPC477909
0.6126 Remote Similarity NPC42678
0.6124 Remote Similarity NPC235885
0.6122 Remote Similarity NPC475406
0.612 Remote Similarity NPC475422
0.6113 Remote Similarity NPC11408
0.6109 Remote Similarity NPC106593
0.6109 Remote Similarity NPC122463
0.6109 Remote Similarity NPC95783
0.6107 Remote Similarity NPC244839
0.6107 Remote Similarity NPC319880
0.6107 Remote Similarity NPC320324
0.6104 Remote Similarity NPC34508
0.6103 Remote Similarity NPC476493
0.6102 Remote Similarity NPC162812
0.61 Remote Similarity NPC473506
0.61 Remote Similarity NPC202503
0.6098 Remote Similarity NPC38959
0.6098 Remote Similarity NPC327904
0.6092 Remote Similarity NPC472844
0.6087 Remote Similarity NPC89549
0.608 Remote Similarity NPC472550
0.608 Remote Similarity NPC304179
0.608 Remote Similarity NPC48042
0.6078 Remote Similarity NPC144779
0.6078 Remote Similarity NPC294579
0.6077 Remote Similarity NPC470126
0.6074 Remote Similarity NPC195314
0.6073 Remote Similarity NPC162484
0.6073 Remote Similarity NPC472843
0.6071 Remote Similarity NPC292517
0.6071 Remote Similarity NPC151976
0.607 Remote Similarity NPC477912
0.6067 Remote Similarity NPC475844
0.6066 Remote Similarity NPC72211
0.6063 Remote Similarity NPC203614
0.6063 Remote Similarity NPC477910
0.6062 Remote Similarity NPC477902
0.6061 Remote Similarity NPC170751
0.6061 Remote Similarity NPC327769
0.6059 Remote Similarity NPC472108
0.6059 Remote Similarity NPC139291
0.6055 Remote Similarity NPC472555
0.6055 Remote Similarity NPC223590
0.6054 Remote Similarity NPC253580
0.605 Remote Similarity NPC99428

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473389 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
0.6616 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6559 Remote Similarity NPD5164 Discontinued
0.6387 Remote Similarity NPD6773 Clinical (unspecified phase)
0.637 Remote Similarity NPD7169 Suspended
0.6333 Remote Similarity NPD8244 Phase 2
0.6333 Remote Similarity NPD2727 Phase 2
0.6286 Remote Similarity NPD4305 Clinical (unspecified phase)
0.6265 Remote Similarity NPD6977 Clinical (unspecified phase)
0.6265 Remote Similarity NPD6978 Phase 2
0.6235 Remote Similarity NPD7221 Approved
0.6235 Remote Similarity NPD7219 Approved
0.6189 Remote Similarity NPD7934 Discovery
0.6189 Remote Similarity NPD7932 Clinical (unspecified phase)
0.6189 Remote Similarity NPD7933 Approved
0.6189 Remote Similarity NPD7931 Approved
0.6187 Remote Similarity NPD6976 Clinical (unspecified phase)
0.6181 Remote Similarity NPD6455 Phase 3
0.6157 Remote Similarity NPD6717 Clinical (unspecified phase)
0.6157 Remote Similarity NPD5003 Discontinued
0.6151 Remote Similarity NPD5912 Clinical (unspecified phase)
0.6151 Remote Similarity NPD5913 Phase 3
0.6096 Remote Similarity NPD5939 Approved
0.6096 Remote Similarity NPD5936 Approved
0.6079 Remote Similarity NPD972 Clinical (unspecified phase)
0.6074 Remote Similarity NPD3791 Clinical (unspecified phase)
0.6067 Remote Similarity NPD7576 Discontinued
0.6066 Remote Similarity NPD3230 Clinical (unspecified phase)
0.6063 Remote Similarity NPD7218 Clinical (unspecified phase)
0.605 Remote Similarity NPD8364 Approved
0.605 Remote Similarity NPD8363 Approved
0.6047 Remote Similarity NPD6736 Discontinued
0.6035 Remote Similarity NPD8428 Approved
0.6035 Remote Similarity NPD8427 Approved
0.6035 Remote Similarity NPD8429 Approved
0.6031 Remote Similarity NPD3280 Approved
0.6024 Remote Similarity NPD7073 Clinical (unspecified phase)
0.6023 Remote Similarity NPD6494 Phase 2
0.6023 Remote Similarity NPD7558 Phase 2
0.6017 Remote Similarity NPD1325 Approved
0.6017 Remote Similarity NPD7474 Suspended
0.6017 Remote Similarity NPD1326 Approved
0.6016 Remote Similarity NPD2125 Clinical (unspecified phase)
0.6008 Remote Similarity NPD2920 Discontinued
0.6007 Remote Similarity NPD8426 Approved
0.6007 Remote Similarity NPD8425 Approved
0.6007 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6 Remote Similarity NPD4350 Approved
0.6 Remote Similarity NPD4349 Approved
0.6 Remote Similarity NPD1503 Clinical (unspecified phase)
0.6 Remote Similarity NPD6803 Clinical (unspecified phase)
0.5992 Remote Similarity NPD5596 Phase 2
0.5991 Remote Similarity NPD1554 Clinical (unspecified phase)
0.5985 Remote Similarity NPD6995 Phase 1
0.5984 Remote Similarity NPD1322 Clinical (unspecified phase)
0.5979 Remote Similarity NPD8465 Approved
0.5979 Remote Similarity NPD8467 Approved
0.5979 Remote Similarity NPD8466 Approved
0.5975 Remote Similarity NPD2564 Approved
0.5975 Remote Similarity NPD2565 Phase 2
0.5968 Remote Similarity NPD4502 Phase 2
0.5966 Remote Similarity NPD4112 Clinical (unspecified phase)
0.5966 Remote Similarity NPD7418 Discontinued
0.5962 Remote Similarity NPD7548 Discontinued
0.5961 Remote Similarity NPD5902 Approved
0.5961 Remote Similarity NPD5903 Approved
0.596 Remote Similarity NPD3003 Approved
0.5957 Remote Similarity NPD7772 Phase 3
0.5953 Remote Similarity NPD8109 Clinical (unspecified phase)
0.595 Remote Similarity NPD4699 Discontinued
0.5935 Remote Similarity NPD7956 Approved
0.5935 Remote Similarity NPD7955 Approved
0.5935 Remote Similarity NPD7889 Clinical (unspecified phase)
0.5934 Remote Similarity NPD1534 Approved
0.5926 Remote Similarity NPD4875 Phase 3
0.5926 Remote Similarity NPD4876 Phase 3
0.5897 Remote Similarity NPD8459 Approved
0.5897 Remote Similarity NPD8460 Approved
0.5896 Remote Similarity NPD2715 Clinical (unspecified phase)
0.5896 Remote Similarity NPD3932 Clinical (unspecified phase)
0.5873 Remote Similarity NPD3930 Clinical (unspecified phase)
0.5873 Remote Similarity NPD6290 Phase 2
0.5866 Remote Similarity NPD7673 Phase 3
0.5861 Remote Similarity NPD8468 Phase 2
0.5858 Remote Similarity NPD4454 Phase 2
0.5857 Remote Similarity NPD7708 Approved
0.5857 Remote Similarity NPD2721 Clinical (unspecified phase)
0.5847 Remote Similarity NPD2177 Approved
0.5847 Remote Similarity NPD2175 Phase 3
0.5847 Remote Similarity NPD2176 Approved
0.584 Remote Similarity NPD3928 Approved
0.584 Remote Similarity NPD5669 Clinical (unspecified phase)
0.584 Remote Similarity NPD3931 Approved
0.583 Remote Similarity NPD7803 Approved
0.583 Remote Similarity NPD1229 Phase 2
0.5823 Remote Similarity NPD4600 Approved
0.5823 Remote Similarity NPD4601 Approved
0.5813 Remote Similarity NPD6491 Clinical (unspecified phase)
0.5806 Remote Similarity NPD7946 Pre-registration
0.5803 Remote Similarity NPD5807 Phase 2
0.5798 Remote Similarity NPD2615 Phase 3
0.5798 Remote Similarity NPD2616 Phase 3
0.5795 Remote Similarity NPD6456 Discontinued
0.5792 Remote Similarity NPD7252 Clinical (unspecified phase)
0.5789 Remote Similarity NPD5411 Discontinued
0.5787 Remote Similarity NPD7672 Approved
0.5787 Remote Similarity NPD8423 Phase 2
0.5787 Remote Similarity NPD5658 Approved
0.5787 Remote Similarity NPD7671 Approved
0.5787 Remote Similarity NPD8399 Phase 1
0.5783 Remote Similarity NPD4118 Clinical (unspecified phase)
0.5783 Remote Similarity NPD1768 Approved
0.5782 Remote Similarity NPD8358 Approved
0.5781 Remote Similarity NPD6220 Phase 3
0.5771 Remote Similarity NPD5530 Phase 1
0.5769 Remote Similarity NPD6985 Discontinued
0.5768 Remote Similarity NPD7688 Phase 1
0.5766 Remote Similarity NPD7921 Approved
0.5761 Remote Similarity NPD4951 Discontinued
0.5756 Remote Similarity NPD6641 Approved
0.5756 Remote Similarity NPD6642 Approved
0.5753 Remote Similarity NPD5612 Discontinued
0.5751 Remote Similarity NPD5744 Clinical (unspecified phase)
0.5747 Remote Similarity NPD7194 Discontinued
0.5741 Remote Similarity NPD6160 Clinical (unspecified phase)
0.5737 Remote Similarity NPD4511 Phase 1
0.5726 Remote Similarity NPD5522 Clinical (unspecified phase)
0.5725 Remote Similarity NPD7947 Clinical (unspecified phase)
0.572 Remote Similarity NPD8395 Approved
0.572 Remote Similarity NPD8396 Approved
0.5714 Remote Similarity NPD4328 Approved
0.5714 Remote Similarity NPD5721 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6281 Approved
0.5714 Remote Similarity NPD2381 Approved
0.5714 Remote Similarity NPD2382 Approved
0.5714 Remote Similarity NPD2380 Approved
0.5709 Remote Similarity NPD4901 Clinical (unspecified phase)
0.5703 Remote Similarity NPD5834 Phase 3
0.5703 Remote Similarity NPD4506 Discontinued
0.5703 Remote Similarity NPD5835 Phase 3
0.5702 Remote Similarity NPD5083 Clinical (unspecified phase)
0.5698 Remote Similarity NPD6657 Clinical (unspecified phase)
0.5697 Remote Similarity NPD5497 Clinical (unspecified phase)
0.5692 Remote Similarity NPD8160 Phase 2
0.5691 Remote Similarity NPD6630 Clinical (unspecified phase)
0.5683 Remote Similarity NPD7769 Phase 3
0.5681 Remote Similarity NPD648 Clinical (unspecified phase)
0.5681 Remote Similarity NPD8489 Phase 1
0.5676 Remote Similarity NPD7571 Clinical (unspecified phase)
0.5667 Remote Similarity NPD3920 Phase 2
0.5666 Remote Similarity NPD7181 Phase 3
0.5665 Remote Similarity NPD5930 Phase 3
0.5658 Remote Similarity NPD8442 Discontinued
0.5654 Remote Similarity NPD7707 Approved
0.5647 Remote Similarity NPD7957 Phase 1
0.5647 Remote Similarity NPD7958 Clinical (unspecified phase)
0.5641 Remote Similarity NPD5140 Approved
0.5641 Remote Similarity NPD5138 Approved
0.5636 Remote Similarity NPD2844 Phase 3
0.5636 Remote Similarity NPD7770 Phase 3
0.5633 Remote Similarity NPD8431 Approved
0.5627 Remote Similarity NPD3258 Approved
0.5625 Remote Similarity NPD7222 Phase 2
0.5625 Remote Similarity NPD1392 Approved
0.5623 Remote Similarity NPD1856 Discontinued
0.5622 Remote Similarity NPD4771 Phase 2
0.562 Remote Similarity NPD8017 Clinical (unspecified phase)
0.562 Remote Similarity NPD8321 Discontinued
0.562 Remote Similarity NPD8016 Phase 3
0.5618 Remote Similarity NPD53 Approved
0.5618 Remote Similarity NPD7778 Approved
0.5618 Remote Similarity NPD7777 Approved
0.5603 Remote Similarity NPD2739 Clinical (unspecified phase)
0.5602 Remote Similarity NPD4079 Approved
0.5602 Remote Similarity NPD8386 Phase 2
0.5602 Remote Similarity NPD4076 Approved

Structure

External Identifiers

PubChem CID   44450809
ChEMBL   CHEMBL405864
ZINC  

Physicochemical Properties

Molecular Weight:  633.29
ALogP:  0.1556
MLogP:  4.65
XLogP:  2.025
# Rotatable Bonds:  10
Polar Surface Area:  103.71
# H-Bond Aceptor:  7
# H-Bond Donor:  4
# Rings:  10
# Heavy Atoms:  45

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