Natural Product: NPC43775

Natural Product ID:  NPC43775
Common Name:   [16-Hydroxy-4,4,9,13,14-Pentamethyl-17-(2-Methyl-3-Oxo-5-Propan-2-Ylfuran-2-Yl)-11-Oxo-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Acetate
IUPAC Name:   [16-hydroxy-4,4,9,13,14-pentamethyl-17-(2-methyl-3-oxo-5-propan-2-ylfuran-2-yl)-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Synonyms:  
Molecular Formula:   C32H46O6
Standard InCHIKey:  OAQPMBCYFIHMTG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C32H46O6/c1-17(2)22-14-24(35)32(9,38-22)27-21(34)15-29(6)23-12-10-19-20(31(23,8)25(36)16-30(27,29)7)11-13-26(28(19,4)5)37-18(3)33/h10,14,17,20-21,23,26-27,34H,11-13,15-16H2,1-9H3
Canonical SMILES:  CC(=O)OC1CCC2C(=CCC3C2(C)C(=O)CC2(C3(C)CC(C2C2(C)OC(=CC2=O)C(C)C)O)C)C1(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
NPO5523 Picria felterrae Species Linderniaceae 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 54450.27 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 40738.03 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 63241.19 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 40271.7 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 41304.75 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 18071.74 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 21478.3 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 23496.33 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 35481.34 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 32433.96 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 39445.73 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 43651.58 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 23334.58 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 28379.19 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 12560.3 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 41020.41 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 35481.34 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 31332.86 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 23334.58 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 22029.26 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 50118.72 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 17947.34 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 27101.92 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 31550.05 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 28444.61 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 30199.52 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 10000 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 28119.01 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 57279.6 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 25822.6 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 35727.28 nM PubChem BioAssay data set
NPT731 Cell Line LXFL 529 Homo sapiens GI50 31260.79 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 26977.39 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 19054.61 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 44977.99 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 62373.48 nM PubChem BioAssay data set
NPT577 Cell Line RXF 631 Homo sapiens GI50 26791.68 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 78342.96 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 32508.73 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 31045.6 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 74989.42 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 17782.79 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 55975.76 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 NPC43775 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
0.8868 High Similarity NPC44063
0.8857 High Similarity NPC137657
0.8704 High Similarity NPC304495
0.8704 High Similarity NPC2766
0.8692 High Similarity NPC220974
0.8661 High Similarity NPC471854
0.8636 High Similarity NPC280782
0.8636 High Similarity NPC71348
0.8636 High Similarity NPC100267
0.8636 High Similarity NPC221144
0.8636 High Similarity NPC475524
0.8627 High Similarity NPC469599
0.8621 High Similarity NPC475194
0.8598 High Similarity NPC196528
0.8598 High Similarity NPC181265
0.8584 High Similarity NPC257457
0.8584 High Similarity NPC311554
0.8571 High Similarity NPC270958
0.8559 High Similarity NPC202889
0.8545 High Similarity NPC118860
0.8545 High Similarity NPC231589
0.8545 High Similarity NPC214797
0.8532 High Similarity NPC241927
0.8532 High Similarity NPC258543
0.8505 High Similarity NPC235889
0.8468 Intermediate Similarity NPC170487
0.8462 Intermediate Similarity NPC18509
0.8455 Intermediate Similarity NPC239097
0.844 Intermediate Similarity NPC94529
0.8421 Intermediate Similarity NPC118638
0.8407 Intermediate Similarity NPC148458
0.8403 Intermediate Similarity NPC168899
0.8403 Intermediate Similarity NPC293623
0.8403 Intermediate Similarity NPC69273
0.8393 Intermediate Similarity NPC52634
0.8365 Intermediate Similarity NPC96859
0.8365 Intermediate Similarity NPC305483
0.8365 Intermediate Similarity NPC328162
0.8349 Intermediate Similarity NPC185
0.8349 Intermediate Similarity NPC475294
0.8333 Intermediate Similarity NPC2436
0.8333 Intermediate Similarity NPC135854
0.8333 Intermediate Similarity NPC239273
0.8333 Intermediate Similarity NPC216245
0.8333 Intermediate Similarity NPC470251
0.8318 Intermediate Similarity NPC473928
0.8318 Intermediate Similarity NPC271266
0.8318 Intermediate Similarity NPC22388
0.8318 Intermediate Similarity NPC87351
0.8318 Intermediate Similarity NPC308351
0.8302 Intermediate Similarity NPC474720
0.8302 Intermediate Similarity NPC144956
0.8302 Intermediate Similarity NPC83709
0.8291 Intermediate Similarity NPC222688
0.8288 Intermediate Similarity NPC197428
0.8269 Intermediate Similarity NPC470016
0.8269 Intermediate Similarity NPC317586
0.8264 Intermediate Similarity NPC241008
0.8257 Intermediate Similarity NPC278628
0.8257 Intermediate Similarity NPC231530
0.8257 Intermediate Similarity NPC60681
0.8252 Intermediate Similarity NPC109414
0.8241 Intermediate Similarity NPC140723
0.8241 Intermediate Similarity NPC179208
0.8241 Intermediate Similarity NPC70967
0.8241 Intermediate Similarity NPC111323
0.8241 Intermediate Similarity NPC191892
0.8241 Intermediate Similarity NPC236390
0.8241 Intermediate Similarity NPC33973
0.8241 Intermediate Similarity NPC311612
0.823 Intermediate Similarity NPC194100
0.8208 Intermediate Similarity NPC477854
0.8205 Intermediate Similarity NPC470921
0.8198 Intermediate Similarity NPC214644
0.819 Intermediate Similarity NPC49371
0.819 Intermediate Similarity NPC95565
0.819 Intermediate Similarity NPC472933
0.8182 Intermediate Similarity NPC59530
0.8173 Intermediate Similarity NPC166906
0.8165 Intermediate Similarity NPC29705
0.8165 Intermediate Similarity NPC471293
0.8155 Intermediate Similarity NPC154101
0.8155 Intermediate Similarity NPC168027
0.8155 Intermediate Similarity NPC185936
0.8148 Intermediate Similarity NPC308726
0.8148 Intermediate Similarity NPC477054
0.8148 Intermediate Similarity NPC53222
0.8148 Intermediate Similarity NPC185530
0.8148 Intermediate Similarity NPC136289
0.8148 Intermediate Similarity NPC56498
0.8148 Intermediate Similarity NPC119601
0.8148 Intermediate Similarity NPC204450
0.8148 Intermediate Similarity NPC195290
0.8142 Intermediate Similarity NPC264634
0.8142 Intermediate Similarity NPC147180
0.8137 Intermediate Similarity NPC305039
0.8137 Intermediate Similarity NPC310010
0.8137 Intermediate Similarity NPC326627
0.8137 Intermediate Similarity NPC477943
0.8137 Intermediate Similarity NPC76879
0.8137 Intermediate Similarity NPC1015
0.8137 Intermediate Similarity NPC31985
0.8137 Intermediate Similarity NPC474245
0.8136 Intermediate Similarity NPC65858
0.8131 Intermediate Similarity NPC316964
0.8131 Intermediate Similarity NPC472972
0.8131 Intermediate Similarity NPC88198
0.8125 Intermediate Similarity NPC5284
0.812 Intermediate Similarity NPC109973
0.8113 Intermediate Similarity NPC43747
0.8113 Intermediate Similarity NPC475894
0.8108 Intermediate Similarity NPC177064
0.8108 Intermediate Similarity NPC470269
0.8103 Intermediate Similarity NPC324253
0.8095 Intermediate Similarity NPC477438
0.8095 Intermediate Similarity NPC184848
0.8095 Intermediate Similarity NPC477437
0.8095 Intermediate Similarity NPC69548
0.8091 Intermediate Similarity NPC475571
0.8091 Intermediate Similarity NPC470267
0.8091 Intermediate Similarity NPC257353
0.8091 Intermediate Similarity NPC265127
0.8087 Intermediate Similarity NPC49492
0.8087 Intermediate Similarity NPC266728
0.8083 Intermediate Similarity NPC93368
0.8077 Intermediate Similarity NPC470376
0.8077 Intermediate Similarity NPC233118
0.8077 Intermediate Similarity NPC25750
0.8077 Intermediate Similarity NPC477435
0.8077 Intermediate Similarity NPC470224
0.8077 Intermediate Similarity NPC477436
0.8077 Intermediate Similarity NPC470375
0.8073 Intermediate Similarity NPC112009
0.8073 Intermediate Similarity NPC26478
0.8073 Intermediate Similarity NPC180204
0.8073 Intermediate Similarity NPC470310
0.8073 Intermediate Similarity NPC36321
0.807 Intermediate Similarity NPC472929
0.807 Intermediate Similarity NPC250109
0.807 Intermediate Similarity NPC962
0.807 Intermediate Similarity NPC472926
0.8067 Intermediate Similarity NPC135038
0.8067 Intermediate Similarity NPC267822
0.8067 Intermediate Similarity NPC43252
0.8058 Intermediate Similarity NPC471896
0.8056 Intermediate Similarity NPC81530
0.8056 Intermediate Similarity NPC474327
0.8056 Intermediate Similarity NPC124211
0.8056 Intermediate Similarity NPC477051
0.8056 Intermediate Similarity NPC477052
0.8056 Intermediate Similarity NPC302537
0.8056 Intermediate Similarity NPC163372
0.8056 Intermediate Similarity NPC477053
0.8037 Intermediate Similarity NPC477813
0.8037 Intermediate Similarity NPC197386
0.8037 Intermediate Similarity NPC176845
0.8037 Intermediate Similarity NPC114274
0.8036 Intermediate Similarity NPC170221
0.8036 Intermediate Similarity NPC474901
0.8036 Intermediate Similarity NPC475941
0.8036 Intermediate Similarity NPC10064
0.8036 Intermediate Similarity NPC41405
0.8019 Intermediate Similarity NPC192428
0.8019 Intermediate Similarity NPC328371
0.8019 Intermediate Similarity NPC477853
0.8019 Intermediate Similarity NPC125622
0.8019 Intermediate Similarity NPC173272
0.8019 Intermediate Similarity NPC42042
0.8018 Intermediate Similarity NPC165873
0.8017 Intermediate Similarity NPC472934
0.8017 Intermediate Similarity NPC472927
0.8 Intermediate Similarity NPC159410
0.8 Intermediate Similarity NPC473255
0.8 Intermediate Similarity NPC13385
0.8 Intermediate Similarity NPC149124
0.8 Intermediate Similarity NPC75531
0.8 Intermediate Similarity NPC196485
0.8 Intermediate Similarity NPC310586
0.8 Intermediate Similarity NPC245972
0.8 Intermediate Similarity NPC472227
0.8 Intermediate Similarity NPC169818
0.8 Intermediate Similarity NPC472228
0.8 Intermediate Similarity NPC477439
0.8 Intermediate Similarity NPC473798
0.8 Intermediate Similarity NPC255309
0.7982 Intermediate Similarity NPC207251
0.7982 Intermediate Similarity NPC15396
0.7982 Intermediate Similarity NPC477915
0.7982 Intermediate Similarity NPC473163
0.7981 Intermediate Similarity NPC26888
0.7965 Intermediate Similarity NPC272898
0.7965 Intermediate Similarity NPC129689
0.7965 Intermediate Similarity NPC206595
0.7965 Intermediate Similarity NPC6206
0.7965 Intermediate Similarity NPC473036
0.7963 Intermediate Similarity NPC205899
0.7963 Intermediate Similarity NPC218383
0.7963 Intermediate Similarity NPC157787
0.7963 Intermediate Similarity NPC476274
0.7963 Intermediate Similarity NPC15390

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC43775 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
0.9143 High Similarity NPD7320 Approved
0.9135 High Similarity NPD6402 Approved
0.9135 High Similarity NPD5739 Approved
0.9135 High Similarity NPD7128 Approved
0.9135 High Similarity NPD6675 Approved
0.9057 High Similarity NPD6373 Approved
0.9057 High Similarity NPD6372 Approved
0.8962 High Similarity NPD6899 Approved
0.8962 High Similarity NPD6881 Approved
0.8889 High Similarity NPD6649 Approved
0.8889 High Similarity NPD8130 Phase 1
0.8889 High Similarity NPD6650 Approved
0.8868 High Similarity NPD5697 Approved
0.8868 High Similarity NPD5701 Approved
0.8824 High Similarity NPD6083 Phase 2
0.8824 High Similarity NPD6084 Phase 2
0.8807 High Similarity NPD8297 Approved
0.8796 High Similarity NPD7102 Approved
0.8796 High Similarity NPD6883 Approved
0.8796 High Similarity NPD7290 Approved
0.8716 High Similarity NPD6869 Approved
0.8716 High Similarity NPD6847 Approved
0.8716 High Similarity NPD6617 Approved
0.8704 High Similarity NPD6014 Approved
0.8704 High Similarity NPD6013 Approved
0.8704 High Similarity NPD6012 Approved
0.8636 High Similarity NPD6882 Approved
0.8611 High Similarity NPD6011 Approved
0.8558 High Similarity NPD5696 Approved
0.8545 High Similarity NPD6401 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD4755 Approved
0.8447 Intermediate Similarity NPD5695 Phase 3
0.8302 Intermediate Similarity NPD5285 Approved
0.8302 Intermediate Similarity NPD4700 Approved
0.8302 Intermediate Similarity NPD4696 Approved
0.8302 Intermediate Similarity NPD5286 Approved
0.8246 Intermediate Similarity NPD6274 Approved
0.819 Intermediate Similarity NPD7101 Approved
0.819 Intermediate Similarity NPD7100 Approved
0.8148 Intermediate Similarity NPD5224 Approved
0.8148 Intermediate Similarity NPD5226 Approved
0.8148 Intermediate Similarity NPD5225 Approved
0.8148 Intermediate Similarity NPD4633 Approved
0.8148 Intermediate Similarity NPD5211 Phase 2
0.8137 Intermediate Similarity NPD4753 Phase 2
0.8137 Intermediate Similarity NPD6904 Approved
0.8137 Intermediate Similarity NPD6673 Approved
0.8137 Intermediate Similarity NPD6080 Approved
0.8103 Intermediate Similarity NPD6335 Approved
0.8091 Intermediate Similarity NPD6008 Approved
0.8077 Intermediate Similarity NPD6399 Phase 3
0.8073 Intermediate Similarity NPD5175 Approved
0.8073 Intermediate Similarity NPD5174 Approved
0.8056 Intermediate Similarity NPD5223 Approved
0.8051 Intermediate Similarity NPD6908 Approved
0.8051 Intermediate Similarity NPD6909 Approved
0.8039 Intermediate Similarity NPD6672 Approved
0.8039 Intermediate Similarity NPD5737 Approved
0.8019 Intermediate Similarity NPD4697 Phase 3
0.8017 Intermediate Similarity NPD8293 Discontinued
0.8017 Intermediate Similarity NPD6317 Approved
0.8 Intermediate Similarity NPD7492 Approved
0.8 Intermediate Similarity NPD5141 Approved
0.7966 Intermediate Similarity NPD6054 Approved
0.7966 Intermediate Similarity NPD6059 Approved
0.7966 Intermediate Similarity NPD6319 Approved
0.7961 Intermediate Similarity NPD5328 Approved
0.7951 Intermediate Similarity NPD7736 Approved
0.7949 Intermediate Similarity NPD6313 Approved
0.7949 Intermediate Similarity NPD6314 Approved
0.7934 Intermediate Similarity NPD6616 Approved
0.7928 Intermediate Similarity NPD4767 Approved
0.7928 Intermediate Similarity NPD4768 Approved
0.7925 Intermediate Similarity NPD4629 Approved
0.7925 Intermediate Similarity NPD5210 Approved
0.7925 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7913 Intermediate Similarity NPD4632 Approved
0.7909 Intermediate Similarity NPD4754 Approved
0.7899 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD7078 Approved
0.7864 Intermediate Similarity NPD6903 Approved
0.7863 Intermediate Similarity NPD6009 Approved
0.785 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.785 Intermediate Similarity NPD5221 Approved
0.785 Intermediate Similarity NPD5222 Approved
0.7843 Intermediate Similarity NPD6684 Approved
0.7843 Intermediate Similarity NPD7146 Approved
0.7843 Intermediate Similarity NPD7521 Approved
0.7843 Intermediate Similarity NPD7334 Approved
0.7843 Intermediate Similarity NPD6409 Approved
0.7843 Intermediate Similarity NPD5330 Approved
0.7843 Intermediate Similarity NPD6098 Approved
0.7833 Intermediate Similarity NPD6370 Approved
0.781 Intermediate Similarity NPD6050 Approved
0.781 Intermediate Similarity NPD5693 Phase 1
0.781 Intermediate Similarity NPD6079 Approved
0.7788 Intermediate Similarity NPD4730 Approved
0.7788 Intermediate Similarity NPD4729 Approved
0.7788 Intermediate Similarity NPD5128 Approved
0.7778 Intermediate Similarity NPD6868 Approved
0.7778 Intermediate Similarity NPD5173 Approved
0.7769 Intermediate Similarity NPD7604 Phase 2
0.775 Intermediate Similarity NPD6015 Approved
0.775 Intermediate Similarity NPD5983 Phase 2
0.775 Intermediate Similarity NPD6016 Approved
0.7745 Intermediate Similarity NPD5329 Approved
0.7736 Intermediate Similarity NPD4202 Approved
0.7714 Intermediate Similarity NPD5692 Phase 3
0.7692 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7686 Intermediate Similarity NPD5988 Approved
0.7672 Intermediate Similarity NPD6053 Discontinued
0.767 Intermediate Similarity NPD3618 Phase 1
0.7664 Intermediate Similarity NPD7748 Approved
0.7652 Intermediate Similarity NPD5248 Approved
0.7652 Intermediate Similarity NPD5247 Approved
0.7652 Intermediate Similarity NPD5251 Approved
0.7652 Intermediate Similarity NPD5250 Approved
0.7652 Intermediate Similarity NPD4634 Approved
0.7652 Intermediate Similarity NPD5249 Phase 3
0.7647 Intermediate Similarity NPD3133 Approved
0.7647 Intermediate Similarity NPD4197 Approved
0.7647 Intermediate Similarity NPD3666 Approved
0.7647 Intermediate Similarity NPD4786 Approved
0.7647 Intermediate Similarity NPD3665 Phase 1
0.7642 Intermediate Similarity NPD5694 Approved
0.7642 Intermediate Similarity NPD6336 Discontinued
0.7615 Intermediate Similarity NPD7902 Approved
0.7586 Intermediate Similarity NPD5217 Approved
0.7586 Intermediate Similarity NPD5216 Approved
0.7586 Intermediate Similarity NPD5215 Approved
0.7563 Intermediate Similarity NPD7115 Discovery
0.75 Intermediate Similarity NPD6001 Approved
0.75 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5169 Approved
0.75 Intermediate Similarity NPD5135 Approved
0.7477 Intermediate Similarity NPD5281 Approved
0.7477 Intermediate Similarity NPD5284 Approved
0.7477 Intermediate Similarity NPD7515 Phase 2
0.7451 Intermediate Similarity NPD4223 Phase 3
0.7451 Intermediate Similarity NPD4221 Approved
0.7451 Intermediate Similarity NPD3667 Approved
0.7436 Intermediate Similarity NPD5127 Approved
0.7387 Intermediate Similarity NPD7638 Approved
0.7383 Intermediate Similarity NPD5207 Approved
0.7381 Intermediate Similarity NPD6033 Approved
0.736 Intermediate Similarity NPD7507 Approved
0.7358 Intermediate Similarity NPD5208 Approved
0.7339 Intermediate Similarity NPD7900 Approved
0.7339 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD5279 Phase 3
0.7333 Intermediate Similarity NPD4694 Approved
0.7333 Intermediate Similarity NPD5280 Approved
0.7333 Intermediate Similarity NPD5690 Phase 2
0.7321 Intermediate Similarity NPD7639 Approved
0.7321 Intermediate Similarity NPD7640 Approved
0.7315 Intermediate Similarity NPD8034 Phase 2
0.7315 Intermediate Similarity NPD8035 Phase 2
0.7273 Intermediate Similarity NPD5654 Approved
0.725 Intermediate Similarity NPD5167 Approved
0.7241 Intermediate Similarity NPD6614 Approved
0.7241 Intermediate Similarity NPD6412 Phase 2
0.7212 Intermediate Similarity NPD4788 Approved
0.72 Intermediate Similarity NPD8328 Phase 3
0.7188 Intermediate Similarity NPD7319 Approved
0.7179 Intermediate Similarity NPD5168 Approved
0.717 Intermediate Similarity NPD4138 Approved
0.717 Intermediate Similarity NPD4689 Approved
0.717 Intermediate Similarity NPD5205 Approved
0.717 Intermediate Similarity NPD4690 Approved
0.717 Intermediate Similarity NPD4688 Approved
0.717 Intermediate Similarity NPD4693 Phase 3
0.717 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5959 Approved
0.713 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6052 Approved
0.7103 Intermediate Similarity NPD3573 Approved
0.7087 Intermediate Similarity NPD4695 Discontinued
0.7075 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3617 Approved
0.7015 Intermediate Similarity NPD6333 Approved
0.7015 Intermediate Similarity NPD6334 Approved
0.7 Intermediate Similarity NPD6411 Approved
0.6981 Remote Similarity NPD3668 Phase 3
0.6952 Remote Similarity NPD6435 Approved
0.6905 Remote Similarity NPD8033 Approved
0.6897 Remote Similarity NPD5091 Approved
0.6875 Remote Similarity NPD5282 Discontinued
0.6863 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6857 Remote Similarity NPD5369 Approved
0.6855 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6827 Remote Similarity NPD4195 Approved
0.6825 Remote Similarity NPD8294 Approved
0.6825 Remote Similarity NPD8377 Approved
0.6818 Remote Similarity NPD6051 Approved
0.6818 Remote Similarity NPD6101 Approved
0.6818 Remote Similarity NPD5764 Clinical (unspecified phase)
0.68 Remote Similarity NPD7328 Approved
0.68 Remote Similarity NPD7327 Approved
0.6786 Remote Similarity NPD5133 Approved
0.6783 Remote Similarity NPD4225 Approved

Structure

External Identifiers

PubChem CID   343253
ChEMBL   CHEMBL1973579
ZINC  

Physicochemical Properties

Molecular Weight:  526.33
ALogP:  1.1519
MLogP:  4.32
XLogP:  3.774
# Rotatable Bonds:  14
Polar Surface Area:  89.9
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  38

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