Natural Product: NPC4108

Natural Product ID:  NPC4108
Common Name:   Cytochalasin E
IUPAC Name:  
Synonyms:   Cytochalasin E
Molecular Formula:   C28H33NO7
Standard InCHIKey:  LAJXCUNOQSHRJO-ZYGJITOWSA-N
Standard InCHI:  InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1
Canonical SMILES:  O=C1O/C=C/[C@@](C)(O)C(=O)[C@H](C/C=C/[C@@H]2[C@]3(O1)C(=N[C@H]([C@@H]3[C@H](C)[C@@]1([C@H]2O1)C)Cc1ccccc1)O)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   BGC0000983 ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO33507 spicaria elegans Species NA NA PMID[16792402]
NPO19108 Arthrinium sacchari Species Apiosporaceae Eukaryota PMID[21718054]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 = 93 nM 16792402
NPT81 Cell Line A549 Homo sapiens IC50 = 6.2 nM 16792402
NPT2 Others Unspecified IC100 < 0.0153 ug/ml 11141120
NPT323 Cell Line SW-620 Homo sapiens IC100 = 0.977 ug/ml 11141120
NPT393 Cell Line HCT-116 Homo sapiens IC100 = 0.244 ug/ml 11141120
NPT737 Cell Line HUVEC Homo sapiens IC50 = 11.4 nM 21718054
NPT2 Others Unspecified IC50 = 11 nM 21718054
NPT367 Cell Line MDA-N Homo sapiens GI50 23.07 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 3162.28 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 197.24 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 19.91 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 23.93 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 83.75 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 16.9 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 21.13 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 25.12 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 1721.87 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 18.11 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 97.5 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 8590.14 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 20.56 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 5688.53 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 18.79 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 23550.49 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 11297.96 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 60.39 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 90.99 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 65.01 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 75.86 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 21777.1 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 43.15 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 17498.47 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 43.65 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 18.28 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 559.76 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 555.9 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 26.18 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 39.17 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 12.82 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 16.6 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 392.64 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 24.77 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 25.29 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 10.19 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 138.36 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 83.37 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 50 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 63.83 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 74.99 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 29.17 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 14.09 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 54.83 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 29.17 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 100 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 16.07 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 314.05 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 13.21 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 18879.91 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 53.58 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 41.88 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 17.06 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 114.02 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 18.92 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 263.03 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 20.99 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 10.33 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 33.27 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 19.45 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 200.45 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 16.07 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 11.07 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 10 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 17.1 nM PubChem BioAssay data set
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Activity = 190 % 8835287
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 5.91 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 9.25 % 23062825

  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 NPC4108 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
0.9161 High Similarity NPC49565
0.8936 High Similarity NPC175870
0.8784 High Similarity NPC201692
0.8776 High Similarity NPC173934
0.8767 High Similarity NPC262216
0.859 High Similarity NPC15506
0.8581 High Similarity NPC237240
0.8581 High Similarity NPC31171
0.8562 High Similarity NPC477115
0.8531 High Similarity NPC228511
0.8472 Intermediate Similarity NPC279045
0.8472 Intermediate Similarity NPC113325
0.844 Intermediate Similarity NPC295478
0.8367 Intermediate Similarity NPC239770
0.8264 Intermediate Similarity NPC42423
0.8188 Intermediate Similarity NPC111586
0.8188 Intermediate Similarity NPC261709
0.8188 Intermediate Similarity NPC108852
0.805 Intermediate Similarity NPC156348
0.8042 Intermediate Similarity NPC278097
0.8027 Intermediate Similarity NPC90693
0.8027 Intermediate Similarity NPC64897
0.7931 Intermediate Similarity NPC71271
0.7724 Intermediate Similarity NPC472414
0.7586 Intermediate Similarity NPC472415
0.7467 Intermediate Similarity NPC183722
0.7226 Intermediate Similarity NPC208725
0.7212 Intermediate Similarity NPC217801
0.7126 Intermediate Similarity NPC235460
0.7102 Intermediate Similarity NPC475345
0.7097 Intermediate Similarity NPC477680
0.7086 Intermediate Similarity NPC203005
0.7062 Intermediate Similarity NPC475649
0.7024 Intermediate Similarity NPC476194
0.7022 Intermediate Similarity NPC474607
0.7011 Intermediate Similarity NPC120667
0.7011 Intermediate Similarity NPC278272
0.6993 Remote Similarity NPC472413
0.6989 Remote Similarity NPC476113
0.6983 Remote Similarity NPC474650
0.6966 Remote Similarity NPC475794
0.6933 Remote Similarity NPC473889
0.6905 Remote Similarity NPC212699
0.6905 Remote Similarity NPC207675
0.689 Remote Similarity NPC94602
0.6887 Remote Similarity NPC108286
0.6887 Remote Similarity NPC473870
0.6887 Remote Similarity NPC473871
0.6885 Remote Similarity NPC317882
0.6885 Remote Similarity NPC473300
0.6885 Remote Similarity NPC453583
0.6885 Remote Similarity NPC475336
0.6885 Remote Similarity NPC471754
0.6883 Remote Similarity NPC116057
0.6871 Remote Similarity NPC260194
0.6868 Remote Similarity NPC471395
0.6868 Remote Similarity NPC327699
0.6867 Remote Similarity NPC472761
0.6862 Remote Similarity NPC472375
0.6862 Remote Similarity NPC472392
0.6859 Remote Similarity NPC476977
0.6848 Remote Similarity NPC33372
0.6848 Remote Similarity NPC67246
0.6839 Remote Similarity NPC93632
0.6831 Remote Similarity NPC471623
0.6826 Remote Similarity NPC275839
0.6825 Remote Similarity NPC472391
0.6815 Remote Similarity NPC476976
0.6807 Remote Similarity NPC476744
0.6793 Remote Similarity NPC324251
0.6793 Remote Similarity NPC275170
0.6793 Remote Similarity NPC206211
0.6793 Remote Similarity NPC306001
0.6793 Remote Similarity NPC471629
0.6793 Remote Similarity NPC473400
0.679 Remote Similarity NPC325078
0.6788 Remote Similarity NPC227905
0.6788 Remote Similarity NPC339338
0.6788 Remote Similarity NPC146097
0.6779 Remote Similarity NPC237420
0.6765 Remote Similarity NPC154675
0.6754 Remote Similarity NPC289383
0.6753 Remote Similarity NPC476970
0.6753 Remote Similarity NPC470158
0.6753 Remote Similarity NPC475933
0.6747 Remote Similarity NPC476743
0.6738 Remote Similarity NPC242662
0.6738 Remote Similarity NPC191193
0.6738 Remote Similarity NPC215892
0.6738 Remote Similarity NPC321072
0.6727 Remote Similarity NPC313414
0.6725 Remote Similarity NPC181924
0.6725 Remote Similarity NPC471203
0.6723 Remote Similarity NPC474953
0.6719 Remote Similarity NPC116862
0.6712 Remote Similarity NPC477246
0.6712 Remote Similarity NPC477245
0.671 Remote Similarity NPC476971
0.671 Remote Similarity NPC476972
0.6707 Remote Similarity NPC470274
0.6707 Remote Similarity NPC185404
0.6705 Remote Similarity NPC304846
0.6702 Remote Similarity NPC181964
0.6702 Remote Similarity NPC471606
0.6702 Remote Similarity NPC208553
0.6689 Remote Similarity NPC190663
0.6687 Remote Similarity NPC475128
0.6686 Remote Similarity NPC476741
0.6686 Remote Similarity NPC49297
0.6685 Remote Similarity NPC475919
0.6685 Remote Similarity NPC474661
0.6667 Remote Similarity NPC291759
0.6667 Remote Similarity NPC476278
0.6667 Remote Similarity NPC473490
0.6667 Remote Similarity NPC473558
0.6667 Remote Similarity NPC473860
0.6647 Remote Similarity NPC146310
0.6646 Remote Similarity NPC140021
0.6646 Remote Similarity NPC305162
0.6645 Remote Similarity NPC470816
0.663 Remote Similarity NPC34780
0.6627 Remote Similarity NPC62792
0.6627 Remote Similarity NPC473541
0.6627 Remote Similarity NPC478123
0.6627 Remote Similarity NPC476742
0.6612 Remote Similarity NPC133591
0.6608 Remote Similarity NPC251139
0.6608 Remote Similarity NPC471176
0.6606 Remote Similarity NPC91703
0.6604 Remote Similarity NPC80599
0.6601 Remote Similarity NPC160493
0.6601 Remote Similarity NPC475328
0.6592 Remote Similarity NPC88378
0.6592 Remote Similarity NPC211713
0.6591 Remote Similarity NPC54125
0.6591 Remote Similarity NPC89199
0.6587 Remote Similarity NPC476757
0.6587 Remote Similarity NPC132771
0.6584 Remote Similarity NPC6570
0.6581 Remote Similarity NPC473083
0.6579 Remote Similarity NPC80150
0.6577 Remote Similarity NPC188010
0.6571 Remote Similarity NPC43304
0.6571 Remote Similarity NPC477190
0.6571 Remote Similarity NPC477188
0.6571 Remote Similarity NPC275477
0.6566 Remote Similarity NPC471912
0.6566 Remote Similarity NPC328824
0.6566 Remote Similarity NPC80895
0.6561 Remote Similarity NPC58061
0.6561 Remote Similarity NPC230331
0.6558 Remote Similarity NPC35996
0.6556 Remote Similarity NPC474051
0.6556 Remote Similarity NPC314992
0.6556 Remote Similarity NPC310467
0.6545 Remote Similarity NPC472546
0.6543 Remote Similarity NPC472545
0.6543 Remote Similarity NPC477557
0.6543 Remote Similarity NPC472551
0.6541 Remote Similarity NPC246913
0.6538 Remote Similarity NPC45821
0.6538 Remote Similarity NPC473082
0.6536 Remote Similarity NPC476281
0.6536 Remote Similarity NPC311175
0.6536 Remote Similarity NPC37641
0.6536 Remote Similarity NPC476184
0.6533 Remote Similarity NPC2265
0.6529 Remote Similarity NPC298072
0.6527 Remote Similarity NPC277053
0.6527 Remote Similarity NPC301946
0.6524 Remote Similarity NPC472547
0.6524 Remote Similarity NPC469360
0.6524 Remote Similarity NPC97667
0.6524 Remote Similarity NPC171207
0.6524 Remote Similarity NPC275592
0.6524 Remote Similarity NPC100913
0.6516 Remote Similarity NPC77691
0.6516 Remote Similarity NPC470815
0.6513 Remote Similarity NPC475768
0.651 Remote Similarity NPC473869
0.6509 Remote Similarity NPC473215
0.6503 Remote Similarity NPC322526
0.6503 Remote Similarity NPC39549
0.65 Remote Similarity NPC245836
0.65 Remote Similarity NPC233910
0.6494 Remote Similarity NPC70973
0.6491 Remote Similarity NPC22571
0.6491 Remote Similarity NPC233581
0.6491 Remote Similarity NPC469647
0.6491 Remote Similarity NPC138641
0.6491 Remote Similarity NPC283875
0.6491 Remote Similarity NPC469648
0.6491 Remote Similarity NPC145649
0.649 Remote Similarity NPC169328
0.6486 Remote Similarity NPC38823
0.6486 Remote Similarity NPC207033
0.6485 Remote Similarity NPC87448
0.6485 Remote Similarity NPC41481
0.6485 Remote Similarity NPC27377
0.6485 Remote Similarity NPC97947

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC4108 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
0.8581 High Similarity NPD7274 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.6983 Remote Similarity NPD8407 Phase 2
0.6923 Remote Similarity NPD8361 Approved
0.6923 Remote Similarity NPD8360 Approved
0.691 Remote Similarity NPD8368 Discontinued
0.6862 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6831 Remote Similarity NPD8435 Approved
0.6813 Remote Similarity NPD8424 Clinical (unspecified phase)
0.681 Remote Similarity NPD2575 Approved
0.6733 Remote Similarity NPD5981 Approved
0.6702 Remote Similarity NPD8485 Approved
0.6667 Remote Similarity NPD8265 Approved
0.6647 Remote Similarity NPD8417 Discontinued
0.6609 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6601 Remote Similarity NPD5618 Discontinued
0.6582 Remote Similarity NPD4738 Phase 2
0.6556 Remote Similarity NPD2217 Approved
0.6556 Remote Similarity NPD4479 Discontinued
0.6556 Remote Similarity NPD2218 Phase 2
0.6543 Remote Similarity NPD6852 Discontinued
0.6517 Remote Similarity NPD8404 Phase 2
0.65 Remote Similarity NPD4746 Phase 3
0.65 Remote Similarity NPD3090 Approved
0.65 Remote Similarity NPD2571 Approved
0.65 Remote Similarity NPD3087 Approved
0.65 Remote Similarity NPD3615 Approved
0.65 Remote Similarity NPD3089 Approved
0.65 Remote Similarity NPD2572 Clinical (unspecified phase)
0.65 Remote Similarity NPD2566 Approved
0.65 Remote Similarity NPD3614 Approved
0.65 Remote Similarity NPD2574 Discontinued
0.65 Remote Similarity NPD2570 Approved
0.65 Remote Similarity NPD2573 Approved
0.65 Remote Similarity NPD4745 Approved
0.65 Remote Similarity NPD3088 Approved
0.65 Remote Similarity NPD3616 Approved
0.6474 Remote Similarity NPD6325 Discontinued
0.6463 Remote Similarity NPD3642 Approved
0.6463 Remote Similarity NPD3644 Approved
0.6463 Remote Similarity NPD3643 Approved
0.6461 Remote Similarity NPD7315 Approved
0.645 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6438 Remote Similarity NPD4621 Approved
0.6438 Remote Similarity NPD4619 Approved
0.6432 Remote Similarity NPD7801 Approved
0.642 Remote Similarity NPD4685 Phase 3
0.642 Remote Similarity NPD4686 Approved
0.642 Remote Similarity NPD4684 Phase 3
0.6415 Remote Similarity NPD2613 Approved
0.6398 Remote Similarity NPD5036 Approved
0.6393 Remote Similarity NPD7007 Discovery
0.6387 Remote Similarity NPD4807 Approved
0.6387 Remote Similarity NPD4806 Approved
0.6382 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6382 Remote Similarity NPD7874 Approved
0.6378 Remote Similarity NPD5035 Approved
0.6373 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5305 Approved
0.6364 Remote Similarity NPD5038 Approved
0.6364 Remote Similarity NPD5037 Approved
0.6364 Remote Similarity NPD5306 Approved
0.6358 Remote Similarity NPD2238 Phase 2
0.6358 Remote Similarity NPD6311 Approved
0.6358 Remote Similarity NPD6310 Approved
0.6358 Remote Similarity NPD6309 Approved
0.6352 Remote Similarity NPD5204 Approved
0.6348 Remote Similarity NPD6746 Phase 2
0.6343 Remote Similarity NPD7972 Discontinued
0.6329 Remote Similarity NPD2625 Approved
0.6329 Remote Similarity NPD2626 Approved
0.6329 Remote Similarity NPD2628 Approved
0.6329 Remote Similarity NPD2160 Approved
0.6329 Remote Similarity NPD2627 Approved
0.6329 Remote Similarity NPD2159 Approved
0.6325 Remote Similarity NPD1375 Discontinued
0.6324 Remote Similarity NPD5032 Approved
0.6322 Remote Similarity NPD6072 Discontinued
0.6316 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6316 Remote Similarity NPD7296 Approved
0.6312 Remote Similarity NPD4620 Approved
0.6312 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6312 Remote Similarity NPD5201 Approved
0.6312 Remote Similarity NPD5203 Approved
0.6312 Remote Similarity NPD4617 Approved
0.631 Remote Similarity NPD3400 Discontinued
0.6304 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6294 Remote Similarity NPD4583 Approved
0.6294 Remote Similarity NPD4582 Approved
0.6289 Remote Similarity NPD7565 Approved
0.6276 Remote Similarity NPD6823 Phase 2
0.6272 Remote Similarity NPD8323 Discontinued
0.627 Remote Similarity NPD5030 Phase 2
0.627 Remote Similarity NPD8014 Clinical (unspecified phase)
0.6258 Remote Similarity NPD5121 Approved
0.6258 Remote Similarity NPD5126 Approved
0.6258 Remote Similarity NPD5125 Phase 3
0.6258 Remote Similarity NPD5119 Approved
0.6258 Remote Similarity NPD5120 Approved
0.6258 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6257 Remote Similarity NPD4666 Phase 3
0.6256 Remote Similarity NPD4580 Approved
0.625 Remote Similarity NPD3661 Approved
0.625 Remote Similarity NPD3662 Phase 3
0.625 Remote Similarity NPD6535 Approved
0.625 Remote Similarity NPD3663 Approved
0.625 Remote Similarity NPD6534 Approved
0.625 Remote Similarity NPD3664 Approved
0.625 Remote Similarity NPD5557 Phase 1
0.6244 Remote Similarity NPD4002 Approved
0.6244 Remote Similarity NPD4004 Approved
0.6242 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6238 Remote Similarity NPD8462 Phase 1
0.6237 Remote Similarity NPD4954 Approved
0.6237 Remote Similarity NPD7699 Phase 2
0.6237 Remote Similarity NPD5034 Approved
0.6237 Remote Similarity NPD4955 Approved
0.6237 Remote Similarity NPD36 Approved
0.6237 Remote Similarity NPD5028 Approved
0.6237 Remote Similarity NPD5026 Approved
0.6237 Remote Similarity NPD7700 Phase 2
0.6235 Remote Similarity NPD6667 Approved
0.6235 Remote Similarity NPD6666 Approved
0.623 Remote Similarity NPD3909 Discontinued
0.6229 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6229 Remote Similarity NPD7749 Clinical (unspecified phase)
0.6224 Remote Similarity NPD2494 Approved
0.6224 Remote Similarity NPD2493 Approved
0.6218 Remote Similarity NPD2956 Clinical (unspecified phase)
0.6218 Remote Similarity NPD4136 Approved
0.6218 Remote Similarity NPD4135 Approved
0.6218 Remote Similarity NPD4106 Approved
0.6213 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6212 Remote Similarity NPD8319 Approved
0.6212 Remote Similarity NPD8320 Phase 1
0.6211 Remote Similarity NPD6836 Approved
0.6203 Remote Similarity NPD7313 Approved
0.6203 Remote Similarity NPD7312 Approved
0.6203 Remote Similarity NPD7310 Approved
0.6203 Remote Similarity NPD7311 Approved
0.6201 Remote Similarity NPD5709 Phase 3
0.6186 Remote Similarity NPD2975 Approved
0.6186 Remote Similarity NPD2974 Approved
0.6186 Remote Similarity NPD2973 Approved
0.6184 Remote Similarity NPD2629 Approved
0.6183 Remote Similarity NPD5031 Approved
0.6183 Remote Similarity NPD5027 Approved
0.6183 Remote Similarity NPD5039 Approved
0.6183 Remote Similarity NPD5029 Approved
0.6178 Remote Similarity NPD3529 Phase 2
0.6178 Remote Similarity NPD2608 Approved
0.6178 Remote Similarity NPD4218 Approved
0.6178 Remote Similarity NPD4215 Approved
0.6178 Remote Similarity NPD3131 Approved
0.6178 Remote Similarity NPD2609 Approved
0.6178 Remote Similarity NPD4217 Approved
0.6178 Remote Similarity NPD3132 Approved
0.6178 Remote Similarity NPD2612 Approved
0.6178 Remote Similarity NPD2610 Approved
0.6178 Remote Similarity NPD2611 Approved
0.6178 Remote Similarity NPD4216 Approved
0.6173 Remote Similarity NPD6782 Approved
0.6173 Remote Similarity NPD6781 Approved
0.6173 Remote Similarity NPD6777 Approved
0.6173 Remote Similarity NPD6778 Approved
0.6173 Remote Similarity NPD6779 Approved
0.6173 Remote Similarity NPD6780 Approved
0.6173 Remote Similarity NPD6776 Approved
0.617 Remote Similarity NPD7309 Approved
0.617 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6169 Remote Similarity NPD7522 Discontinued
0.6168 Remote Similarity NPD2161 Phase 2
0.6162 Remote Similarity NPD7497 Discontinued
0.6158 Remote Similarity NPD6843 Phase 3
0.6158 Remote Similarity NPD5772 Approved
0.6158 Remote Similarity NPD7827 Phase 1
0.6158 Remote Similarity NPD6842 Approved
0.6158 Remote Similarity NPD5773 Approved
0.6158 Remote Similarity NPD7906 Approved
0.6158 Remote Similarity NPD6841 Approved
0.6149 Remote Similarity NPD6406 Approved
0.6142 Remote Similarity NPD3452 Approved
0.6142 Remote Similarity NPD3450 Approved
0.6138 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6131 Remote Similarity NPD2174 Clinical (unspecified phase)
0.6127 Remote Similarity NPD7526 Approved
0.6127 Remote Similarity NPD7527 Clinical (unspecified phase)
0.6127 Remote Similarity NPD7613 Discontinued
0.6127 Remote Similarity NPD52 Approved
0.6119 Remote Similarity NPD7701 Phase 2
0.6118 Remote Similarity NPD6676 Phase 2
0.6117 Remote Similarity NPD4577 Approved
0.6117 Remote Similarity NPD4578 Approved
0.6114 Remote Similarity NPD4005 Discontinued
0.6108 Remote Similarity NPD4108 Discontinued
0.6105 Remote Similarity NPD4663 Approved
0.6103 Remote Similarity NPD7282 Approved
0.61 Remote Similarity NPD7211 Clinical (unspecified phase)
0.61 Remote Similarity NPD7999 Approved
0.6098 Remote Similarity NPD5729 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5458385
ChEMBL   CHEMBL494856
ZINC  

Physicochemical Properties

Molecular Weight:  495.23
ALogP:  -0.3333
MLogP:  3.66
XLogP:  5.235
# Rotatable Bonds:  8
Polar Surface Area:  117.95
# H-Bond Aceptor:  8
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  36

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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