Natural Product: NPC212660

Natural Product ID:  NPC212660
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C37H54O11
Standard InCHIKey:  XUJMHSCMPCZWOV-XVGSJRLISA-N
Standard InCHI:  InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19?,20+,21+,23+,24-,25+,26?,27?,28?,29-,30?,32+,33-,34+,35-,36+,37?/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1C[C@]23C[C@]43CC[C@@H](C([C@@H]4CC=C2[C@]2([C@@]1(C)[C@H]1[C@H](C)CC3(O[C@H]1C2)OC([C@@]1([C@H]3O1)C)O)C)(C)C)OC1OCC(C(C1O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT367 Cell Line MDA-N Homo sapiens GI50 30902.95 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 31477.48 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 43451.02 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 34040.82 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 41783.04 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 54325.03 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 43151.91 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 7726.81 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 20796.97 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 19724.23 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 33189.45 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 32062.69 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 23768.4 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 12050.36 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 27352.69 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 43853.07 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 30690.22 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 41686.94 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 47533.52 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 21086.28 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 75162.29 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 35974.93 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 36475.39 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 22961.49 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 33651.16 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 47206.3 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 61094.2 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 19588.45 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 48417.24 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 23442.29 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 27925.44 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 19678.86 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 20606.3 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 48865.24 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 25003.45 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 31550.05 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 19408.86 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 58748.94 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 33419.5 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 22908.68 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 30760.97 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 30408.85 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 20796.97 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 25292.98 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 46131.76 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 21677.04 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 32359.37 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 25703.96 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 36475.39 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 40364.54 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 25176.77 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 26915.35 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 11694.99 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 35399.73 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 33189.45 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 41209.75 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 15885.47 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 21330.45 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 NPC212660 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
0.9434 High Similarity NPC476835
0.9091 High Similarity NPC144068
0.9083 High Similarity NPC114188
0.8981 High Similarity NPC38217
0.8981 High Similarity NPC472988
0.8981 High Similarity NPC295980
0.8929 High Similarity NPC477031
0.8929 High Similarity NPC63609
0.8909 High Similarity NPC197231
0.8899 High Similarity NPC296761
0.8899 High Similarity NPC51925
0.8899 High Similarity NPC154085
0.8899 High Similarity NPC43976
0.8899 High Similarity NPC125361
0.8889 High Similarity NPC234160
0.8879 High Similarity NPC85593
0.8879 High Similarity NPC31430
0.885 High Similarity NPC477807
0.8839 High Similarity NPC477808
0.8829 High Similarity NPC19888
0.8807 High Similarity NPC476538
0.8807 High Similarity NPC476540
0.8807 High Similarity NPC476541
0.8807 High Similarity NPC7213
0.8807 High Similarity NPC476539
0.8796 High Similarity NPC242748
0.8796 High Similarity NPC473199
0.8796 High Similarity NPC26798
0.8796 High Similarity NPC181845
0.8785 High Similarity NPC139181
0.8785 High Similarity NPC97260
0.8785 High Similarity NPC476837
0.8772 High Similarity NPC475403
0.8772 High Similarity NPC160888
0.8739 High Similarity NPC65167
0.8739 High Similarity NPC470748
0.8727 High Similarity NPC477026
0.8727 High Similarity NPC477027
0.8727 High Similarity NPC70204
0.8727 High Similarity NPC475670
0.8727 High Similarity NPC42482
0.8727 High Similarity NPC306131
0.8727 High Similarity NPC40440
0.8716 High Similarity NPC226642
0.8716 High Similarity NPC470432
0.8716 High Similarity NPC305423
0.8716 High Similarity NPC230507
0.8716 High Similarity NPC161676
0.8716 High Similarity NPC113044
0.8716 High Similarity NPC14704
0.8716 High Similarity NPC283829
0.8704 High Similarity NPC221562
0.8704 High Similarity NPC187400
0.8704 High Similarity NPC471111
0.8704 High Similarity NPC470885
0.8696 High Similarity NPC470897
0.8696 High Similarity NPC476085
0.8696 High Similarity NPC30483
0.8696 High Similarity NPC195560
0.8696 High Similarity NPC229962
0.8696 High Similarity NPC469756
0.8696 High Similarity NPC236973
0.8696 High Similarity NPC32177
0.8696 High Similarity NPC292467
0.8696 High Similarity NPC55532
0.8696 High Similarity NPC473633
0.8673 High Similarity NPC477810
0.8636 High Similarity NPC220427
0.8636 High Similarity NPC98696
0.8632 High Similarity NPC43842
0.8624 High Similarity NPC473923
0.8624 High Similarity NPC474569
0.8624 High Similarity NPC473476
0.8621 High Similarity NPC475358
0.8621 High Similarity NPC475629
0.8621 High Similarity NPC233391
0.8621 High Similarity NPC475556
0.8621 High Similarity NPC107607
0.8621 High Similarity NPC473566
0.8621 High Similarity NPC72260
0.8621 High Similarity NPC50689
0.8621 High Similarity NPC207243
0.8621 High Similarity NPC198325
0.8611 High Similarity NPC286969
0.8611 High Similarity NPC120123
0.8611 High Similarity NPC131479
0.8611 High Similarity NPC155010
0.8611 High Similarity NPC31907
0.8611 High Similarity NPC8039
0.8611 High Similarity NPC211879
0.8611 High Similarity NPC472252
0.8611 High Similarity NPC157659
0.8611 High Similarity NPC245280
0.8611 High Similarity NPC16520
0.8611 High Similarity NPC189852
0.8611 High Similarity NPC473020
0.8611 High Similarity NPC213190
0.8611 High Similarity NPC114874
0.8609 High Similarity NPC472080
0.8609 High Similarity NPC218093
0.8609 High Similarity NPC475357
0.8598 High Similarity NPC108227
0.8598 High Similarity NPC476512
0.8598 High Similarity NPC472081
0.8596 High Similarity NPC146652
0.8584 High Similarity NPC476693
0.8571 High Similarity NPC13190
0.8571 High Similarity NPC477032
0.8571 High Similarity NPC475247
0.8571 High Similarity NPC477028
0.8571 High Similarity NPC294129
0.8571 High Similarity NPC476547
0.8571 High Similarity NPC124677
0.8559 High Similarity NPC73243
0.8559 High Similarity NPC309278
0.8559 High Similarity NPC250089
0.8559 High Similarity NPC106589
0.8559 High Similarity NPC157530
0.8559 High Similarity NPC194207
0.8559 High Similarity NPC218571
0.8559 High Similarity NPC84956
0.8559 High Similarity NPC475333
0.8559 High Similarity NPC102016
0.8559 High Similarity NPC171073
0.8559 High Similarity NPC202261
0.8559 High Similarity NPC300557
0.8559 High Similarity NPC257207
0.8559 High Similarity NPC244086
0.8559 High Similarity NPC150372
0.8559 High Similarity NPC224098
0.8559 High Similarity NPC14630
0.8559 High Similarity NPC249265
0.8559 High Similarity NPC477809
0.8559 High Similarity NPC475550
0.8559 High Similarity NPC208383
0.8559 High Similarity NPC95051
0.8559 High Similarity NPC46190
0.8559 High Similarity NPC232054
0.8559 High Similarity NPC470433
0.8559 High Similarity NPC22779
0.8559 High Similarity NPC295133
0.8559 High Similarity NPC6806
0.8559 High Similarity NPC248746
0.8547 High Similarity NPC474908
0.8547 High Similarity NPC475419
0.8547 High Similarity NPC314535
0.8547 High Similarity NPC40749
0.8547 High Similarity NPC173555
0.8547 High Similarity NPC133506
0.8547 High Similarity NPC120390
0.8547 High Similarity NPC231518
0.8547 High Similarity NPC475219
0.8547 High Similarity NPC475590
0.8545 High Similarity NPC473469
0.8545 High Similarity NPC190395
0.8534 High Similarity NPC291820
0.8534 High Similarity NPC329905
0.8534 High Similarity NPC81222
0.8532 High Similarity NPC470057
0.8532 High Similarity NPC470064
0.8532 High Similarity NPC470061
0.8532 High Similarity NPC165033
0.8532 High Similarity NPC273879
0.8532 High Similarity NPC470058
0.8532 High Similarity NPC470059
0.8532 High Similarity NPC470060
0.8532 High Similarity NPC470043
0.8532 High Similarity NPC475365
0.8532 High Similarity NPC173583
0.8532 High Similarity NPC470062
0.8522 High Similarity NPC93883
0.8522 High Similarity NPC290693
0.8522 High Similarity NPC203862
0.8519 High Similarity NPC310138
0.8519 High Similarity NPC134967
0.8519 High Similarity NPC470029
0.8519 High Similarity NPC312553
0.8519 High Similarity NPC114700
0.8519 High Similarity NPC159036
0.8519 High Similarity NPC288694
0.8509 High Similarity NPC473882
0.8509 High Similarity NPC167183
0.8509 High Similarity NPC32707
0.8505 High Similarity NPC470030
0.8505 High Similarity NPC324598
0.8496 Intermediate Similarity NPC112274
0.8496 Intermediate Similarity NPC32361
0.8496 Intermediate Similarity NPC31896
0.8496 Intermediate Similarity NPC210569
0.8496 Intermediate Similarity NPC263359
0.8496 Intermediate Similarity NPC254255
0.8496 Intermediate Similarity NPC244431
0.8482 Intermediate Similarity NPC222202
0.8482 Intermediate Similarity NPC23808
0.8482 Intermediate Similarity NPC224314
0.8482 Intermediate Similarity NPC141433
0.8482 Intermediate Similarity NPC247037
0.8482 Intermediate Similarity NPC101450
0.8482 Intermediate Similarity NPC269297
0.8482 Intermediate Similarity NPC477811

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC212660 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
0.8621 High Similarity NPD8294 Approved
0.8621 High Similarity NPD8377 Approved
0.8547 High Similarity NPD8296 Approved
0.8547 High Similarity NPD8033 Approved
0.8547 High Similarity NPD8335 Approved
0.8547 High Similarity NPD8380 Approved
0.8547 High Similarity NPD8378 Approved
0.8547 High Similarity NPD8379 Approved
0.8291 Intermediate Similarity NPD7327 Approved
0.8291 Intermediate Similarity NPD7328 Approved
0.822 Intermediate Similarity NPD7516 Approved
0.8083 Intermediate Similarity NPD7503 Approved
0.7823 Intermediate Similarity NPD7507 Approved
0.7797 Intermediate Similarity NPD8133 Approved
0.7778 Intermediate Similarity NPD8171 Discontinued
0.7759 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD6412 Phase 2
0.7698 Intermediate Similarity NPD7736 Approved
0.7638 Intermediate Similarity NPD7319 Approved
0.7619 Intermediate Similarity NPD8293 Discontinued
0.7459 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD6370 Approved
0.7414 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD8328 Phase 3
0.7323 Intermediate Similarity NPD7492 Approved
0.728 Intermediate Similarity NPD6059 Approved
0.728 Intermediate Similarity NPD6054 Approved
0.7266 Intermediate Similarity NPD6616 Approved
0.7209 Intermediate Similarity NPD7078 Approved
0.7197 Intermediate Similarity NPD8449 Approved
0.7143 Intermediate Similarity NPD8450 Suspended
0.7131 Intermediate Similarity NPD6882 Approved
0.7131 Intermediate Similarity NPD8297 Approved
0.7087 Intermediate Similarity NPD6016 Approved
0.7087 Intermediate Similarity NPD6015 Approved
0.7083 Intermediate Similarity NPD6686 Approved
0.7059 Intermediate Similarity NPD6008 Approved
0.704 Intermediate Similarity NPD6009 Approved
0.7031 Intermediate Similarity NPD5988 Approved
0.7008 Intermediate Similarity NPD6319 Approved
0.6977 Remote Similarity NPD6067 Discontinued
0.6953 Remote Similarity NPD8516 Approved
0.6953 Remote Similarity NPD8513 Phase 3
0.6953 Remote Similarity NPD8515 Approved
0.6953 Remote Similarity NPD8517 Approved
0.6942 Remote Similarity NPD7320 Approved
0.6935 Remote Similarity NPD4632 Approved
0.6917 Remote Similarity NPD6675 Approved
0.6917 Remote Similarity NPD5739 Approved
0.6917 Remote Similarity NPD7128 Approved
0.6917 Remote Similarity NPD6402 Approved
0.6901 Remote Similarity NPD7625 Phase 1
0.6885 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6885 Remote Similarity NPD6373 Approved
0.6885 Remote Similarity NPD6372 Approved
0.6846 Remote Similarity NPD7604 Phase 2
0.6838 Remote Similarity NPD7638 Approved
0.6822 Remote Similarity NPD6928 Phase 2
0.6803 Remote Similarity NPD6899 Approved
0.6803 Remote Similarity NPD6881 Approved
0.678 Remote Similarity NPD7640 Approved
0.678 Remote Similarity NPD7639 Approved
0.6774 Remote Similarity NPD8130 Phase 1
0.6774 Remote Similarity NPD6650 Approved
0.6774 Remote Similarity NPD6649 Approved
0.6772 Remote Similarity NPD7115 Discovery
0.6767 Remote Similarity NPD6033 Approved
0.6724 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6721 Remote Similarity NPD5697 Approved
0.6721 Remote Similarity NPD5701 Approved
0.6694 Remote Similarity NPD6883 Approved
0.6694 Remote Similarity NPD7290 Approved
0.6694 Remote Similarity NPD7102 Approved
0.6694 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7525 Registered
0.664 Remote Similarity NPD6869 Approved
0.664 Remote Similarity NPD6617 Approved
0.664 Remote Similarity NPD6847 Approved
0.6613 Remote Similarity NPD6013 Approved
0.6613 Remote Similarity NPD6012 Approved
0.6613 Remote Similarity NPD6014 Approved
0.661 Remote Similarity NPD6083 Phase 2
0.661 Remote Similarity NPD6084 Phase 2
0.6565 Remote Similarity NPD5983 Phase 2
0.6552 Remote Similarity NPD6399 Phase 3
0.6532 Remote Similarity NPD6011 Approved
0.6508 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6508 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6496 Remote Similarity NPD7748 Approved
0.6496 Remote Similarity NPD6001 Approved
0.6493 Remote Similarity NPD6336 Discontinued
0.6471 Remote Similarity NPD4755 Approved
0.6471 Remote Similarity NPD7902 Approved
0.6466 Remote Similarity NPD8035 Phase 2
0.6466 Remote Similarity NPD8034 Phase 2
0.6452 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6446 Remote Similarity NPD5344 Discontinued
0.6435 Remote Similarity NPD6051 Approved
0.6429 Remote Similarity NPD4634 Approved
0.6422 Remote Similarity NPD7645 Phase 2
0.641 Remote Similarity NPD4202 Approved
0.6404 Remote Similarity NPD7524 Approved
0.6393 Remote Similarity NPD7632 Discontinued
0.6364 Remote Similarity NPD5286 Approved
0.6364 Remote Similarity NPD4700 Approved
0.6364 Remote Similarity NPD4696 Approved
0.6364 Remote Similarity NPD5285 Approved
0.6325 Remote Similarity NPD7515 Phase 2
0.6311 Remote Similarity NPD4159 Approved
0.6308 Remote Similarity NPD6274 Approved
0.6304 Remote Similarity NPD5956 Approved
0.6303 Remote Similarity NPD5695 Phase 3
0.6296 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6288 Remote Similarity NPD7101 Approved
0.6288 Remote Similarity NPD7100 Approved
0.6283 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6281 Remote Similarity NPD4225 Approved
0.6281 Remote Similarity NPD5696 Approved
0.627 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6261 Remote Similarity NPD4751 Clinical (unspecified phase)
0.626 Remote Similarity NPD5225 Approved
0.626 Remote Similarity NPD5224 Approved
0.626 Remote Similarity NPD4633 Approved
0.626 Remote Similarity NPD5211 Phase 2
0.626 Remote Similarity NPD5226 Approved
0.624 Remote Similarity NPD4767 Approved
0.624 Remote Similarity NPD4768 Approved
0.6228 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6218 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6218 Remote Similarity NPD7900 Approved
0.6212 Remote Similarity NPD6335 Approved
0.621 Remote Similarity NPD5174 Approved
0.621 Remote Similarity NPD5175 Approved
0.6207 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6903 Approved
0.6204 Remote Similarity NPD8074 Phase 3
0.6204 Remote Similarity NPD6942 Approved
0.6204 Remote Similarity NPD7339 Approved
0.6202 Remote Similarity NPD6053 Discontinued
0.6195 Remote Similarity NPD3669 Approved
0.6195 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6195 Remote Similarity NPD6695 Phase 3
0.6194 Remote Similarity NPD6909 Approved
0.6194 Remote Similarity NPD6908 Approved
0.6194 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6179 Remote Similarity NPD5223 Approved
0.6174 Remote Similarity NPD5330 Approved
0.6174 Remote Similarity NPD6684 Approved
0.6174 Remote Similarity NPD7521 Approved
0.6174 Remote Similarity NPD7334 Approved
0.6174 Remote Similarity NPD6409 Approved
0.6174 Remote Similarity NPD7146 Approved
0.6167 Remote Similarity NPD7991 Discontinued
0.616 Remote Similarity NPD5141 Approved
0.6159 Remote Similarity NPD8336 Approved
0.6159 Remote Similarity NPD8337 Approved
0.6154 Remote Similarity NPD5328 Approved
0.6154 Remote Similarity NPD4753 Phase 2
0.6142 Remote Similarity NPD4730 Approved
0.6142 Remote Similarity NPD4729 Approved
0.614 Remote Similarity NPD4786 Approved
0.6136 Remote Similarity NPD6317 Approved
0.6121 Remote Similarity NPD7750 Discontinued
0.6102 Remote Similarity NPD3168 Discontinued
0.6098 Remote Similarity NPD6648 Approved
0.609 Remote Similarity NPD6314 Approved
0.609 Remote Similarity NPD6313 Approved
0.608 Remote Similarity NPD4754 Approved
0.6075 Remote Similarity NPD4243 Approved
0.6071 Remote Similarity NPD4748 Discontinued
0.6061 Remote Similarity NPD6940 Discontinued
0.605 Remote Similarity NPD7637 Suspended
0.605 Remote Similarity NPD6079 Approved
0.6047 Remote Similarity NPD5249 Phase 3
0.6047 Remote Similarity NPD5247 Approved
0.6047 Remote Similarity NPD5251 Approved
0.6047 Remote Similarity NPD5250 Approved
0.6047 Remote Similarity NPD5248 Approved
0.6034 Remote Similarity NPD6098 Approved
0.6034 Remote Similarity NPD3618 Phase 1
0.6017 Remote Similarity NPD6673 Approved
0.6017 Remote Similarity NPD6904 Approved
0.6017 Remote Similarity NPD6080 Approved
0.6016 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6016 Remote Similarity NPD5128 Approved
0.6 Remote Similarity NPD3666 Approved
0.6 Remote Similarity NPD3665 Phase 1
0.6 Remote Similarity NPD3133 Approved
0.6 Remote Similarity NPD6933 Approved
0.5986 Remote Similarity NPD8338 Approved
0.5982 Remote Similarity NPD4195 Approved
0.5966 Remote Similarity NPD7838 Discovery
0.5966 Remote Similarity NPD46 Approved
0.5966 Remote Similarity NPD6698 Approved
0.5965 Remote Similarity NPD3667 Approved
0.5963 Remote Similarity NPD1810 Approved
0.5963 Remote Similarity NPD4784 Approved
0.5963 Remote Similarity NPD1811 Approved
0.5963 Remote Similarity NPD4785 Approved
0.5939 Remote Similarity NPD7799 Discontinued

Structure

External Identifiers

PubChem CID   399179
ChEMBL   CHEMBL1966457
ZINC  

Physicochemical Properties

Molecular Weight:  674.37
ALogP:  -0.9623
MLogP:  4.32
XLogP:  3.593
# Rotatable Bonds:  15
Polar Surface Area:  156.67
# H-Bond Aceptor:  11
# H-Bond Donor:  4
# Rings:  9
# Heavy Atoms:  48

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