Natural Product: NPC475300

Natural Product ID:  NPC475300
Common Name:   12-O-Cinnamoyldeacetylmetaplexigenin Beta-D-Glucopyranosyl-(1->4)-Beta-D-Thevetopyranosyl-(1->4)-Beta-D-Cymaropyranosyl-(1->4)-Beta-D-Cymaropyranosyl-(1->4)-Beta-D-Cymaropyranoside
IUPAC Name:   [(3S,8S,9R,10R,12R,13S,14R,17R)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Synonyms:  
Molecular Formula:   C64H96O25
Standard InCHIKey:  KVMSBPUIMUZEIE-FLRJXKCASA-N
Standard InCHI:  InChI=1S/C64H96O25/c1-31-53(86-47-27-40(76-9)54(32(2)80-47)87-48-28-41(77-10)55(33(3)81-48)88-59-52(71)57(78-11)56(34(4)82-59)89-58-51(70)50(69)49(68)42(30-65)84-58)39(75-8)26-46(79-31)83-38-20-21-60(6)37(25-38)19-22-63(73)43(60)29-44(85-45(67)18-17-36-15-13-12-14-16-36)61(7)62(72,35(5)66)23-24-64(61,63)74/h12-19,31-34,38-44,46-59,65,68-74H,20-30H2,1-11H3/b18-17+/t31-,32-,33-,34-,38+,39+,40+,41+,42-,43-,44-,46+,47+,48+,49-,50+,51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61-,62+,63+,64-/m1/s1
Canonical SMILES:  CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C(=CC[C@@]4([C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]3([C@]4(O)CC[C@]3(O)C(=O)C)C)O)C2)C)O[C@@H]([C@H]1O[C@H]1C[C@H](OC)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](OC)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)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
NPO32487 leptadenia pyrotechnica Species Apocynaceae Eukaryota Whole Plants Dogon region, Mali 2002-APR PMID[16643040]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1182 Cell Line J774.A1 Mus musculus IC50 = 50 nM 23294699
NPT71 Cell Line HEK293 Homo sapiens IC50 = 380 nM 19394829
NPT3470 Cell Line WEHI-164 Mus musculus IC50 = 850 nM 15165138

  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 NPC475300 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
1.0 High Similarity NPC473641
1.0 High Similarity NPC475464
1.0 High Similarity NPC475437
1.0 High Similarity NPC473797
1.0 High Similarity NPC475505
0.9934 High Similarity NPC475536
0.9934 High Similarity NPC165234
0.9272 High Similarity NPC475447
0.9272 High Similarity NPC70236
0.9272 High Similarity NPC475218
0.9272 High Similarity NPC476092
0.9205 High Similarity NPC474564
0.9146 High Similarity NPC475613
0.9068 High Similarity NPC477488
0.9062 High Similarity NPC475198
0.9062 High Similarity NPC475531
0.9062 High Similarity NPC475175
0.9 High Similarity NPC473468
0.9 High Similarity NPC475567
0.9 High Similarity NPC473557
0.8981 High Similarity NPC477467
0.8917 High Similarity NPC477470
0.8917 High Similarity NPC477474
0.8917 High Similarity NPC477472
0.8882 High Similarity NPC477491
0.8861 High Similarity NPC476784
0.8758 High Similarity NPC264270
0.8758 High Similarity NPC40085
0.8726 High Similarity NPC69425
0.8718 High Similarity NPC329657
0.8693 High Similarity NPC111466
0.8606 High Similarity NPC477469
0.8606 High Similarity NPC477466
0.8606 High Similarity NPC477471
0.8606 High Similarity NPC477473
0.8545 High Similarity NPC102465
0.8442 Intermediate Similarity NPC473755
0.8442 Intermediate Similarity NPC475513
0.8438 Intermediate Similarity NPC471176
0.8438 Intermediate Similarity NPC469456
0.8415 Intermediate Similarity NPC295408
0.8415 Intermediate Similarity NPC329960
0.8415 Intermediate Similarity NPC150893
0.8395 Intermediate Similarity NPC477736
0.8344 Intermediate Similarity NPC290746
0.8344 Intermediate Similarity NPC79250
0.8333 Intermediate Similarity NPC477735
0.8323 Intermediate Similarity NPC40138
0.8312 Intermediate Similarity NPC473440
0.8282 Intermediate Similarity NPC319404
0.828 Intermediate Similarity NPC301946
0.828 Intermediate Similarity NPC277053
0.8269 Intermediate Similarity NPC284957
0.8253 Intermediate Similarity NPC471493
0.825 Intermediate Similarity NPC478123
0.8242 Intermediate Similarity NPC275477
0.8232 Intermediate Similarity NPC477623
0.8217 Intermediate Similarity NPC80895
0.8217 Intermediate Similarity NPC471912
0.821 Intermediate Similarity NPC473611
0.821 Intermediate Similarity NPC472549
0.821 Intermediate Similarity NPC132599
0.821 Intermediate Similarity NPC473632
0.821 Intermediate Similarity NPC469730
0.8205 Intermediate Similarity NPC63737
0.8204 Intermediate Similarity NPC325732
0.8204 Intermediate Similarity NPC324769
0.8193 Intermediate Similarity NPC66193
0.8193 Intermediate Similarity NPC478125
0.8192 Intermediate Similarity NPC475121
0.8192 Intermediate Similarity NPC476067
0.8187 Intermediate Similarity NPC476173
0.8171 Intermediate Similarity NPC469399
0.8171 Intermediate Similarity NPC49297
0.816 Intermediate Similarity NPC70344
0.816 Intermediate Similarity NPC154675
0.8155 Intermediate Similarity NPC161151
0.8144 Intermediate Similarity NPC471134
0.8141 Intermediate Similarity NPC325078
0.8136 Intermediate Similarity NPC189704
0.8133 Intermediate Similarity NPC478124
0.8129 Intermediate Similarity NPC469421
0.811 Intermediate Similarity NPC469417
0.811 Intermediate Similarity NPC181924
0.811 Intermediate Similarity NPC318447
0.811 Intermediate Similarity NPC322048
0.8107 Intermediate Similarity NPC469420
0.8098 Intermediate Similarity NPC228204
0.8098 Intermediate Similarity NPC26033
0.8098 Intermediate Similarity NPC5115
0.8098 Intermediate Similarity NPC469398
0.8095 Intermediate Similarity NPC61891
0.8086 Intermediate Similarity NPC472548
0.8079 Intermediate Similarity NPC96194
0.8079 Intermediate Similarity NPC299855
0.8075 Intermediate Similarity NPC7095
0.8075 Intermediate Similarity NPC475417
0.8075 Intermediate Similarity NPC475561
0.8072 Intermediate Similarity NPC476077
0.8056 Intermediate Similarity NPC475299
0.8056 Intermediate Similarity NPC473711
0.805 Intermediate Similarity NPC471162
0.8049 Intermediate Similarity NPC323001
0.8049 Intermediate Similarity NPC326235
0.8049 Intermediate Similarity NPC106895
0.8037 Intermediate Similarity NPC472022
0.8037 Intermediate Similarity NPC257213
0.8037 Intermediate Similarity NPC256142
0.8037 Intermediate Similarity NPC304876
0.8037 Intermediate Similarity NPC471135
0.8037 Intermediate Similarity NPC472658
0.8037 Intermediate Similarity NPC249471
0.8037 Intermediate Similarity NPC133430
0.8037 Intermediate Similarity NPC242262
0.8037 Intermediate Similarity NPC1173
0.8037 Intermediate Similarity NPC158333
0.8037 Intermediate Similarity NPC469477
0.8037 Intermediate Similarity NPC237549
0.8037 Intermediate Similarity NPC472005
0.8037 Intermediate Similarity NPC472030
0.8037 Intermediate Similarity NPC472657
0.8037 Intermediate Similarity NPC265395
0.8037 Intermediate Similarity NPC473414
0.8035 Intermediate Similarity NPC195972
0.8025 Intermediate Similarity NPC471103
0.8025 Intermediate Similarity NPC62792
0.8025 Intermediate Similarity NPC51602
0.8025 Intermediate Similarity NPC298072
0.8024 Intermediate Similarity NPC477190
0.8024 Intermediate Similarity NPC43304
0.8024 Intermediate Similarity NPC477188
0.8013 Intermediate Similarity NPC102015
0.8012 Intermediate Similarity NPC471138
0.8012 Intermediate Similarity NPC323356
0.8012 Intermediate Similarity NPC81698
0.8012 Intermediate Similarity NPC250046
0.8012 Intermediate Similarity NPC60509
0.8012 Intermediate Similarity NPC326328
0.8012 Intermediate Similarity NPC309991
0.8 Intermediate Similarity NPC112708
0.7988 Intermediate Similarity NPC112523
0.7988 Intermediate Similarity NPC469422
0.7988 Intermediate Similarity NPC282239
0.7988 Intermediate Similarity NPC114410
0.7988 Intermediate Similarity NPC34066
0.7987 Intermediate Similarity NPC4242
0.7987 Intermediate Similarity NPC471911
0.7976 Intermediate Similarity NPC322420
0.7975 Intermediate Similarity NPC477905
0.7974 Intermediate Similarity NPC80599
0.7974 Intermediate Similarity NPC476976
0.7963 Intermediate Similarity NPC161239
0.7963 Intermediate Similarity NPC165260
0.7963 Intermediate Similarity NPC198455
0.7963 Intermediate Similarity NPC470245
0.7963 Intermediate Similarity NPC473214
0.7963 Intermediate Similarity NPC469448
0.7963 Intermediate Similarity NPC112216
0.7952 Intermediate Similarity NPC471102
0.7947 Intermediate Similarity NPC473519
0.7947 Intermediate Similarity NPC473805
0.7947 Intermediate Similarity NPC471855
0.7944 Intermediate Similarity NPC71385
0.7944 Intermediate Similarity NPC230670
0.7939 Intermediate Similarity NPC290683
0.7939 Intermediate Similarity NPC475638
0.7939 Intermediate Similarity NPC475548
0.7937 Intermediate Similarity NPC127857
0.7931 Intermediate Similarity NPC124828
0.7927 Intermediate Similarity NPC146310
0.7927 Intermediate Similarity NPC77719
0.7922 Intermediate Similarity NPC159811
0.7917 Intermediate Similarity NPC55744
0.7914 Intermediate Similarity NPC306799
0.7914 Intermediate Similarity NPC101043
0.7914 Intermediate Similarity NPC469415
0.7908 Intermediate Similarity NPC476977
0.7901 Intermediate Similarity NPC476975
0.7901 Intermediate Similarity NPC473215
0.7895 Intermediate Similarity NPC471024
0.7892 Intermediate Similarity NPC472393
0.7892 Intermediate Similarity NPC469771
0.7888 Intermediate Similarity NPC474241
0.7881 Intermediate Similarity NPC198918
0.7881 Intermediate Similarity NPC231888
0.7881 Intermediate Similarity NPC290276
0.7881 Intermediate Similarity NPC124878
0.7881 Intermediate Similarity NPC92283
0.7881 Intermediate Similarity NPC63404
0.7881 Intermediate Similarity NPC10121
0.7881 Intermediate Similarity NPC35338
0.7881 Intermediate Similarity NPC10883
0.7881 Intermediate Similarity NPC204214
0.7881 Intermediate Similarity NPC471026
0.7879 Intermediate Similarity NPC473670
0.7879 Intermediate Similarity NPC21410
0.7875 Intermediate Similarity NPC471139
0.7874 Intermediate Similarity NPC477617
0.7871 Intermediate Similarity NPC470143
0.7871 Intermediate Similarity NPC322503

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475300 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
0.8118 Intermediate Similarity NPD7799 Discontinued
0.7826 Intermediate Similarity NPD7236 Approved
0.7697 Intermediate Similarity NPD7239 Suspended
0.758 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD8368 Discontinued
0.75 Intermediate Similarity NPD8407 Phase 2
0.7459 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD7058 Phase 2
0.7283 Intermediate Similarity NPD7057 Phase 3
0.7243 Intermediate Similarity NPD8361 Approved
0.7243 Intermediate Similarity NPD8435 Approved
0.7243 Intermediate Similarity NPD8360 Approved
0.7166 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7507 Approved
0.7143 Intermediate Similarity NPD7685 Pre-registration
0.7135 Intermediate Similarity NPD8434 Phase 2
0.7135 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7319 Approved
0.7124 Intermediate Similarity NPD8378 Approved
0.7124 Intermediate Similarity NPD8296 Approved
0.7124 Intermediate Similarity NPD8033 Approved
0.7124 Intermediate Similarity NPD8380 Approved
0.7124 Intermediate Similarity NPD8335 Approved
0.7124 Intermediate Similarity NPD8379 Approved
0.7083 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7961 Discontinued
0.707 Intermediate Similarity NPD7736 Approved
0.7059 Intermediate Similarity NPD8294 Approved
0.7059 Intermediate Similarity NPD8377 Approved
0.7032 Intermediate Similarity NPD8328 Phase 3
0.7013 Intermediate Similarity NPD7503 Approved
0.6993 Remote Similarity NPD7516 Approved
0.6952 Remote Similarity NPD8150 Discontinued
0.6939 Remote Similarity NPD8320 Phase 1
0.6939 Remote Similarity NPD8319 Approved
0.6928 Remote Similarity NPD7327 Approved
0.6928 Remote Similarity NPD7328 Approved
0.6927 Remote Similarity NPD8485 Approved
0.6923 Remote Similarity NPD7228 Approved
0.6903 Remote Similarity NPD8516 Approved
0.6903 Remote Similarity NPD8515 Approved
0.6903 Remote Similarity NPD8517 Approved
0.6891 Remote Similarity NPD7699 Phase 2
0.6891 Remote Similarity NPD7700 Phase 2
0.6887 Remote Similarity NPD8133 Approved
0.6887 Remote Similarity NPD6858 Approved
0.6887 Remote Similarity NPD7094 Approved
0.6882 Remote Similarity NPD8312 Approved
0.6882 Remote Similarity NPD8313 Approved
0.6865 Remote Similarity NPD7240 Approved
0.6833 Remote Similarity NPD8127 Discontinued
0.6824 Remote Similarity NPD6190 Approved
0.6795 Remote Similarity NPD8513 Phase 3
0.678 Remote Similarity NPD8455 Phase 2
0.6765 Remote Similarity NPD8166 Discontinued
0.6752 Remote Similarity NPD6370 Approved
0.6739 Remote Similarity NPD3751 Discontinued
0.6736 Remote Similarity NPD6535 Approved
0.6736 Remote Similarity NPD6534 Approved
0.6717 Remote Similarity NPD7435 Discontinued
0.6711 Remote Similarity NPD6882 Approved
0.6711 Remote Similarity NPD8297 Approved
0.6709 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6705 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6703 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6687 Remote Similarity NPD8293 Discontinued
0.6686 Remote Similarity NPD7266 Discontinued
0.6667 Remote Similarity NPD7492 Approved
0.6667 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7808 Phase 3
0.6648 Remote Similarity NPD7199 Phase 2
0.6646 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6645 Remote Similarity NPD6009 Approved
0.6645 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6633 Remote Similarity NPD7698 Approved
0.6633 Remote Similarity NPD7697 Approved
0.6633 Remote Similarity NPD7497 Discontinued
0.6633 Remote Similarity NPD7696 Phase 3
0.6629 Remote Similarity NPD37 Approved
0.6625 Remote Similarity NPD6616 Approved
0.6624 Remote Similarity NPD6319 Approved
0.6624 Remote Similarity NPD6054 Approved
0.6624 Remote Similarity NPD7741 Discontinued
0.6612 Remote Similarity NPD3787 Discontinued
0.6611 Remote Similarity NPD4966 Approved
0.6611 Remote Similarity NPD4965 Approved
0.6611 Remote Similarity NPD4967 Phase 2
0.661 Remote Similarity NPD7028 Phase 2
0.6601 Remote Similarity NPD7874 Approved
0.6601 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6596 Remote Similarity NPD7251 Discontinued
0.6596 Remote Similarity NPD6765 Approved
0.6596 Remote Similarity NPD6764 Approved
0.6584 Remote Similarity NPD7701 Phase 2
0.6584 Remote Similarity NPD7078 Approved
0.6578 Remote Similarity NPD7074 Phase 3
0.6566 Remote Similarity NPD6781 Approved
0.6566 Remote Similarity NPD6777 Approved
0.6566 Remote Similarity NPD6779 Approved
0.6566 Remote Similarity NPD6776 Approved
0.6566 Remote Similarity NPD6778 Approved
0.6566 Remote Similarity NPD6780 Approved
0.6566 Remote Similarity NPD6782 Approved
0.6564 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6558 Remote Similarity NPD4632 Approved
0.6554 Remote Similarity NPD7458 Discontinued
0.6543 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6543 Remote Similarity NPD6797 Phase 2
0.6538 Remote Similarity NPD6234 Discontinued
0.6537 Remote Similarity NPD8462 Phase 1
0.6536 Remote Similarity NPD6650 Approved
0.6536 Remote Similarity NPD6649 Approved
0.6528 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6517 Remote Similarity NPD7871 Phase 2
0.6517 Remote Similarity NPD7870 Phase 2
0.65 Remote Similarity NPD5760 Phase 2
0.65 Remote Similarity NPD5761 Phase 2
0.649 Remote Similarity NPD6412 Phase 2
0.649 Remote Similarity NPD6685 Approved
0.6489 Remote Similarity NPD7472 Approved
0.6488 Remote Similarity NPD7801 Approved
0.6478 Remote Similarity NPD6016 Approved
0.6478 Remote Similarity NPD6015 Approved
0.6474 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6474 Remote Similarity NPD2629 Approved
0.6471 Remote Similarity NPD8151 Discontinued
0.6458 Remote Similarity NPD6785 Approved
0.6458 Remote Similarity NPD6784 Approved
0.6447 Remote Similarity NPD6881 Approved
0.6447 Remote Similarity NPD6686 Approved
0.6447 Remote Similarity NPD6899 Approved
0.6438 Remote Similarity NPD5988 Approved
0.6438 Remote Similarity NPD5126 Approved
0.6438 Remote Similarity NPD5125 Phase 3
0.6437 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6436 Remote Similarity NPD7054 Approved
0.6433 Remote Similarity NPD7115 Discovery
0.6433 Remote Similarity NPD4198 Discontinued
0.6429 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6429 Remote Similarity NPD8130 Phase 1
0.6415 Remote Similarity NPD6059 Approved
0.6411 Remote Similarity NPD8404 Phase 2
0.6408 Remote Similarity NPD7783 Phase 2
0.6408 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6405 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6405 Remote Similarity NPD6372 Approved
0.6405 Remote Similarity NPD6373 Approved
0.6395 Remote Similarity NPD5763 Approved
0.6395 Remote Similarity NPD5762 Approved
0.6393 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6387 Remote Similarity NPD7962 Phase 2
0.6384 Remote Similarity NPD6273 Approved
0.6382 Remote Similarity NPD5697 Approved
0.6369 Remote Similarity NPD6663 Approved
0.6364 Remote Similarity NPD7102 Approved
0.6364 Remote Similarity NPD7290 Approved
0.6364 Remote Similarity NPD6883 Approved
0.6352 Remote Similarity NPD7610 Discontinued
0.6349 Remote Similarity NPD5844 Phase 1
0.634 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6328 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6325 Remote Similarity NPD5736 Approved
0.6323 Remote Similarity NPD6617 Approved
0.6323 Remote Similarity NPD6869 Approved
0.6323 Remote Similarity NPD6847 Approved
0.6319 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6402 Approved
0.6316 Remote Similarity NPD7128 Approved
0.6316 Remote Similarity NPD5739 Approved
0.6316 Remote Similarity NPD6675 Approved
0.6306 Remote Similarity NPD6010 Discontinued
0.6305 Remote Similarity NPD7680 Approved
0.6304 Remote Similarity NPD7075 Discontinued
0.6299 Remote Similarity NPD6012 Approved
0.6299 Remote Similarity NPD6013 Approved
0.6299 Remote Similarity NPD6014 Approved
0.6296 Remote Similarity NPD3818 Discontinued
0.6296 Remote Similarity NPD7604 Phase 2
0.6291 Remote Similarity NPD5765 Approved
0.6291 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6287 Remote Similarity NPD7055 Discontinued
0.6286 Remote Similarity NPD4628 Phase 3
0.6282 Remote Similarity NPD6912 Phase 3
0.6279 Remote Similarity NPD7305 Phase 1
0.6277 Remote Similarity NPD6166 Phase 2
0.6277 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6273 Remote Similarity NPD5983 Phase 2
0.627 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6269 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6263 Remote Similarity NPD6212 Phase 3
0.6263 Remote Similarity NPD6213 Phase 3
0.6263 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6256 Remote Similarity NPD6823 Phase 2
0.625 Remote Similarity NPD6559 Discontinued
0.625 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6244 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6234 Remote Similarity NPD6011 Approved
0.6234 Remote Similarity NPD7320 Approved

Structure

External Identifiers

PubChem CID   44575255
ChEMBL   CHEMBL503165
ZINC  

Physicochemical Properties

Molecular Weight:  1264.62
ALogP:  -5.7647
MLogP:  5.75
XLogP:  3.085
# Rotatable Bonds:  39
Polar Surface Area:  334.43
# H-Bond Aceptor:  25
# H-Bond Donor:  8
# Rings:  10
# Heavy Atoms:  89

Download Data

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Biological Activities  
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