Natural Product: NPC14704

Natural Product ID:  NPC14704
Common Name:   Polyphillin C
IUPAC Name:  
Synonyms:   Polyphillin C; Polyphyllin C
Molecular Formula:   C39H62O12
Standard InCHIKey:  OJCPWEBMROBPTK-GTCMQMDYSA-N
Standard InCHI:  InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(45)34(30(42)27(16-40)49-36)50-35-32(44)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38+,39-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)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
NPO14634 Artemisia balchanorum Species Asteraceae Eukaryota UNPD*
NPO9126 Stevia maimarensis Species Asteraceae Eukaryota UNPD*
NPO9487 Penicillium flexuosum Species Aspergillaceae Eukaryota UNPD*
NPO12186 Opopanax chironium Species Apiaceae Eukaryota UNPD*
NPO10094 Daphne gnidioides Species Thymelaeaceae Eukaryota UNPD*
NPO1576 Anthriscus sylvestris Species Apiaceae Eukaryota UNPD*
NPO11909 Othonna arborescens Species Asteraceae Eukaryota UNPD*
NPO13723 Salvia eriophora Species Lamiaceae Eukaryota UNPD*
NPO13332 Tacca chantrieri Species Taccaceae Eukaryota UNPD*
NPO13831 Cephalotaxus oliveri Species Taxaceae Eukaryota UNPD*
NPO13426 Lemmaphyllum microphyllum Species Polypodiaceae Eukaryota UNPD*
NPO11396 Metzgeria furcata Species Metzgeriaceae Eukaryota UNPD*
NPO7143 Acacia jacquemontii Species Fabaceae Eukaryota UNPD*
NPO8399 Psiadia trinervia Species Asteraceae Eukaryota UNPD*
NPO14018 Pleurotus salmoneostramineus Species Pleurotaceae Eukaryota UNPD*
NPO6266 Anzia hypoleucoides Species Parmeliaceae Eukaryota UNPD*
NPO12093 Papaver orientale Species Papaveraceae Eukaryota UNPD*
NPO19123 Polygonatum zanlanscianense Species Asparagaceae Eukaryota TCMID*
NPO9089 Dioscorea panthaica Species Dioscoreaceae Eukaryota TCMID*
NPO27472 Daiswa polyphylla Species Melanthiaceae Eukaryota TCMID*
NPO30517.2 Paris polyphylla smith. var. yunnanensis Varieties Melanthiaceae Eukaryota TCM_Taiwan*
NPO30749 Dioscorea panthalca Species Dioscoreaceae Eukaryota TCM_Taiwan*
NPO1133 Zieria laevigata Species Rutaceae Eukaryota UNPD*
NPO12268 Aloe littoralis Species Asphodelaceae Eukaryota UNPD*
NPO14308 Coleonema pulchrum Species Rutaceae Eukaryota UNPD*
NPO10695 Pelargonium zonale Species Geraniaceae Eukaryota UNPD*
NPO5551 Podocarpus sylvestris Species Podocarpaceae Eukaryota UNPD*
NPO11753 Sideroxylon foetidissimum Species Sapotaceae Eukaryota UNPD*
NPO13527 Solanum ecuadorense Species Solanaceae Eukaryota UNPD*
NPO11157 Corydalis saxicola Species Papaveraceae Eukaryota UNPD*
NPO3227 Androsace umbellata Species Primulaceae Eukaryota UNPD*
NPO11585 Geijera salicifolia Species Rutaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1312 Cell Line SW1990 Homo sapiens IC50 = 5400 nM 19362474
NPT1081 Cell Line BXPC-3 Homo sapiens IC50 > 10000 nM 19362474
NPT1313 Cell Line Capan-2 Homo sapiens IC50 = 2700 nM 19362474
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 11800 nM 19362474
NPT81 Cell Line A549 Homo sapiens IC50 = 2300 nM 19362474
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 10000 nM 19362474
NPT179 Cell Line A2780 Homo sapiens IC50 > 10000 nM 19362474
NPT180 Cell Line HCT-8 Homo sapiens IC50 = 4160 nM 19362474
NPT83 Cell Line MCF7 Homo sapiens IC50 = 3450 nM 19362474

  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 NPC14704 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 NPC161676
1.0 High Similarity NPC113044
1.0 High Similarity NPC470432
1.0 High Similarity NPC283829
1.0 High Similarity NPC230507
1.0 High Similarity NPC305423
0.9899 High Similarity NPC98696
0.9898 High Similarity NPC181845
0.98 High Similarity NPC102016
0.98 High Similarity NPC194207
0.98 High Similarity NPC6806
0.98 High Similarity NPC171073
0.98 High Similarity NPC300557
0.98 High Similarity NPC248746
0.98 High Similarity NPC477027
0.98 High Similarity NPC84956
0.98 High Similarity NPC244086
0.98 High Similarity NPC208383
0.98 High Similarity NPC42482
0.98 High Similarity NPC218571
0.98 High Similarity NPC22779
0.98 High Similarity NPC477026
0.98 High Similarity NPC46190
0.98 High Similarity NPC224098
0.98 High Similarity NPC475550
0.98 High Similarity NPC73243
0.98 High Similarity NPC95051
0.98 High Similarity NPC249265
0.98 High Similarity NPC232054
0.98 High Similarity NPC477809
0.98 High Similarity NPC475333
0.98 High Similarity NPC475670
0.98 High Similarity NPC309278
0.98 High Similarity NPC40440
0.98 High Similarity NPC470433
0.98 High Similarity NPC70204
0.98 High Similarity NPC150372
0.98 High Similarity NPC306131
0.9703 High Similarity NPC477811
0.9703 High Similarity NPC269297
0.9703 High Similarity NPC141433
0.9703 High Similarity NPC87998
0.9703 High Similarity NPC247037
0.9703 High Similarity NPC222202
0.9703 High Similarity NPC224314
0.9703 High Similarity NPC23808
0.97 High Similarity NPC476539
0.97 High Similarity NPC476538
0.97 High Similarity NPC476540
0.97 High Similarity NPC476541
0.9608 High Similarity NPC124677
0.9608 High Similarity NPC476547
0.9608 High Similarity NPC13193
0.9608 High Similarity NPC477028
0.9608 High Similarity NPC197231
0.9608 High Similarity NPC477032
0.9608 High Similarity NPC475247
0.9608 High Similarity NPC294129
0.96 High Similarity NPC94272
0.9515 High Similarity NPC210569
0.9515 High Similarity NPC19888
0.9515 High Similarity NPC244431
0.9515 High Similarity NPC42171
0.9515 High Similarity NPC112274
0.9515 High Similarity NPC31896
0.9515 High Similarity NPC263359
0.9515 High Similarity NPC254255
0.9515 High Similarity NPC32361
0.95 High Similarity NPC242748
0.95 High Similarity NPC473923
0.95 High Similarity NPC474569
0.95 High Similarity NPC473476
0.9423 High Similarity NPC51154
0.9423 High Similarity NPC79900
0.9417 High Similarity NPC13190
0.9406 High Similarity NPC226642
0.9394 High Similarity NPC272015
0.9333 High Similarity NPC477810
0.9333 High Similarity NPC11548
0.9333 High Similarity NPC32707
0.9333 High Similarity NPC167183
0.9333 High Similarity NPC477808
0.9327 High Similarity NPC308140
0.9314 High Similarity NPC295980
0.9307 High Similarity NPC26798
0.9307 High Similarity NPC309448
0.9245 High Similarity NPC63609
0.9245 High Similarity NPC477031
0.9245 High Similarity NPC477029
0.9245 High Similarity NPC477030
0.9238 High Similarity NPC476546
0.9238 High Similarity NPC476693
0.9231 High Similarity NPC470748
0.9223 High Similarity NPC476835
0.9216 High Similarity NPC473469
0.9216 High Similarity NPC190395
0.9208 High Similarity NPC470885
0.9208 High Similarity NPC187400
0.9208 High Similarity NPC221562
0.9192 High Similarity NPC282669
0.9184 High Similarity NPC243728
0.9184 High Similarity NPC473890
0.9159 High Similarity NPC477807
0.9151 High Similarity NPC208832
0.9126 High Similarity NPC7213
0.9126 High Similarity NPC220427
0.9091 High Similarity NPC158088
0.9074 High Similarity NPC475403
0.9074 High Similarity NPC160888
0.9065 High Similarity NPC148965
0.9057 High Similarity NPC469347
0.9057 High Similarity NPC144068
0.9057 High Similarity NPC469348
0.9057 High Similarity NPC307642
0.9048 High Similarity NPC114188
0.9038 High Similarity NPC14630
0.9038 High Similarity NPC157530
0.9038 High Similarity NPC250089
0.9038 High Similarity NPC302057
0.902 High Similarity NPC475365
0.901 High Similarity NPC288694
0.901 High Similarity NPC159036
0.901 High Similarity NPC312553
0.8991 High Similarity NPC161738
0.8991 High Similarity NPC229962
0.8991 High Similarity NPC476085
0.8991 High Similarity NPC473633
0.8991 High Similarity NPC195560
0.8942 High Similarity NPC128123
0.8932 High Similarity NPC152584
0.8932 High Similarity NPC127801
0.8932 High Similarity NPC69737
0.8932 High Similarity NPC208594
0.8932 High Similarity NPC194842
0.8932 High Similarity NPC269627
0.8932 High Similarity NPC160816
0.8932 High Similarity NPC208477
0.8922 High Similarity NPC16520
0.8922 High Similarity NPC8039
0.8922 High Similarity NPC211879
0.8922 High Similarity NPC120123
0.8922 High Similarity NPC131479
0.8922 High Similarity NPC16573
0.8922 High Similarity NPC475701
0.8922 High Similarity NPC31907
0.8922 High Similarity NPC472252
0.8922 High Similarity NPC286969
0.8922 High Similarity NPC157659
0.8922 High Similarity NPC155010
0.8922 High Similarity NPC473020
0.8922 High Similarity NPC245280
0.8922 High Similarity NPC189852
0.8922 High Similarity NPC114874
0.8922 High Similarity NPC213190
0.8911 High Similarity NPC267510
0.8911 High Similarity NPC470434
0.8909 High Similarity NPC198325
0.8909 High Similarity NPC207243
0.8909 High Similarity NPC233391
0.8909 High Similarity NPC50689
0.8899 High Similarity NPC476692
0.8899 High Similarity NPC476691
0.8899 High Similarity NPC475357
0.8889 High Similarity NPC207617
0.8879 High Similarity NPC476671
0.8846 High Similarity NPC54619
0.8846 High Similarity NPC14946
0.8846 High Similarity NPC181467
0.8846 High Similarity NPC208650
0.8846 High Similarity NPC63368
0.8835 High Similarity NPC75608
0.8835 High Similarity NPC273879
0.8835 High Similarity NPC474464
0.8835 High Similarity NPC165033
0.8835 High Similarity NPC93352
0.8829 High Similarity NPC249553
0.8829 High Similarity NPC476544
0.8829 High Similarity NPC476543
0.8829 High Similarity NPC182900
0.8829 High Similarity NPC476545
0.8824 High Similarity NPC136816
0.8812 High Similarity NPC7341
0.8812 High Similarity NPC469942
0.8812 High Similarity NPC473200
0.8807 High Similarity NPC476690
0.8807 High Similarity NPC100048
0.8807 High Similarity NPC20979
0.88 High Similarity NPC76486
0.88 High Similarity NPC177818
0.8776 High Similarity NPC235126
0.8776 High Similarity NPC242419
0.8762 High Similarity NPC6931
0.8762 High Similarity NPC246124
0.8762 High Similarity NPC49032
0.8762 High Similarity NPC125324
0.8762 High Similarity NPC159005
0.8762 High Similarity NPC51172
0.8762 High Similarity NPC180183
0.875 High Similarity NPC305771
0.875 High Similarity NPC169816

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC14704 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
0.8407 Intermediate Similarity NPD8377 Approved
0.8407 Intermediate Similarity NPD8294 Approved
0.84 Intermediate Similarity NPD8171 Discontinued
0.8333 Intermediate Similarity NPD8380 Approved
0.8333 Intermediate Similarity NPD8378 Approved
0.8333 Intermediate Similarity NPD8296 Approved
0.8333 Intermediate Similarity NPD8033 Approved
0.8333 Intermediate Similarity NPD8335 Approved
0.8333 Intermediate Similarity NPD8379 Approved
0.8148 Intermediate Similarity NPD6412 Phase 2
0.8099 Intermediate Similarity NPD8449 Approved
0.8033 Intermediate Similarity NPD8450 Suspended
0.7913 Intermediate Similarity NPD7328 Approved
0.7913 Intermediate Similarity NPD7327 Approved
0.7845 Intermediate Similarity NPD7516 Approved
0.7719 Intermediate Similarity NPD8133 Approved
0.7712 Intermediate Similarity NPD7503 Approved
0.7636 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD7507 Approved
0.7368 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD6370 Approved
0.7339 Intermediate Similarity NPD7736 Approved
0.728 Intermediate Similarity NPD7319 Approved
0.7258 Intermediate Similarity NPD8293 Discontinued
0.7227 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD6928 Phase 2
0.719 Intermediate Similarity NPD6059 Approved
0.719 Intermediate Similarity NPD6054 Approved
0.7154 Intermediate Similarity NPD8328 Phase 3
0.7143 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6686 Approved
0.7048 Intermediate Similarity NPD7524 Approved
0.7041 Intermediate Similarity NPD7339 Approved
0.7041 Intermediate Similarity NPD6942 Approved
0.7016 Intermediate Similarity NPD6067 Discontinued
0.6992 Remote Similarity NPD6015 Approved
0.6992 Remote Similarity NPD6016 Approved
0.696 Remote Similarity NPD7492 Approved
0.6935 Remote Similarity NPD5988 Approved
0.6923 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6905 Remote Similarity NPD6616 Approved
0.6887 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6863 Remote Similarity NPD7525 Registered
0.6855 Remote Similarity NPD8515 Approved
0.6855 Remote Similarity NPD8517 Approved
0.6855 Remote Similarity NPD8513 Phase 3
0.6855 Remote Similarity NPD8516 Approved
0.685 Remote Similarity NPD7078 Approved
0.6827 Remote Similarity NPD6695 Phase 3
0.6765 Remote Similarity NPD7645 Phase 2
0.675 Remote Similarity NPD8297 Approved
0.675 Remote Similarity NPD6882 Approved
0.6729 Remote Similarity NPD7750 Discontinued
0.6727 Remote Similarity NPD6399 Phase 3
0.6667 Remote Similarity NPD6033 Approved
0.6667 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6009 Approved
0.664 Remote Similarity NPD6319 Approved
0.6634 Remote Similarity NPD6933 Approved
0.6604 Remote Similarity NPD4786 Approved
0.6602 Remote Similarity NPD6929 Approved
0.66 Remote Similarity NPD4785 Approved
0.66 Remote Similarity NPD4784 Approved
0.6579 Remote Similarity NPD7638 Approved
0.6571 Remote Similarity NPD7625 Phase 1
0.6566 Remote Similarity NPD4243 Approved
0.6557 Remote Similarity NPD4632 Approved
0.6555 Remote Similarity NPD7320 Approved
0.6538 Remote Similarity NPD6931 Approved
0.6538 Remote Similarity NPD6930 Phase 2
0.6525 Remote Similarity NPD6402 Approved
0.6525 Remote Similarity NPD5739 Approved
0.6525 Remote Similarity NPD6008 Approved
0.6525 Remote Similarity NPD7128 Approved
0.6525 Remote Similarity NPD6675 Approved
0.6522 Remote Similarity NPD7639 Approved
0.6522 Remote Similarity NPD7640 Approved
0.65 Remote Similarity NPD6373 Approved
0.65 Remote Similarity NPD6372 Approved
0.6491 Remote Similarity NPD6084 Phase 2
0.6491 Remote Similarity NPD6083 Phase 2
0.646 Remote Similarity NPD7991 Discontinued
0.6439 Remote Similarity NPD5956 Approved
0.6436 Remote Similarity NPD6924 Approved
0.6436 Remote Similarity NPD6926 Approved
0.6417 Remote Similarity NPD6899 Approved
0.6417 Remote Similarity NPD6881 Approved
0.6415 Remote Similarity NPD3667 Approved
0.6408 Remote Similarity NPD5776 Phase 2
0.6408 Remote Similarity NPD6925 Approved
0.6408 Remote Similarity NPD6932 Approved
0.6393 Remote Similarity NPD6649 Approved
0.6393 Remote Similarity NPD8130 Phase 1
0.6393 Remote Similarity NPD6650 Approved
0.6381 Remote Similarity NPD4748 Discontinued
0.6348 Remote Similarity NPD4755 Approved
0.6346 Remote Similarity NPD7145 Approved
0.6339 Remote Similarity NPD7087 Discontinued
0.6333 Remote Similarity NPD5701 Approved
0.6333 Remote Similarity NPD5697 Approved
0.6311 Remote Similarity NPD4634 Approved
0.6311 Remote Similarity NPD7102 Approved
0.6311 Remote Similarity NPD7290 Approved
0.6311 Remote Similarity NPD6883 Approved
0.6306 Remote Similarity NPD4753 Phase 2
0.6306 Remote Similarity NPD6051 Approved
0.6296 Remote Similarity NPD3666 Approved
0.6296 Remote Similarity NPD3665 Phase 1
0.6296 Remote Similarity NPD3133 Approved
0.6286 Remote Similarity NPD6683 Phase 2
0.6283 Remote Similarity NPD4202 Approved
0.627 Remote Similarity NPD7115 Discovery
0.626 Remote Similarity NPD6847 Approved
0.626 Remote Similarity NPD6617 Approved
0.626 Remote Similarity NPD6869 Approved
0.6239 Remote Similarity NPD6893 Approved
0.6239 Remote Similarity NPD4696 Approved
0.6239 Remote Similarity NPD5285 Approved
0.6239 Remote Similarity NPD5286 Approved
0.6239 Remote Similarity NPD4700 Approved
0.6238 Remote Similarity NPD7152 Approved
0.6238 Remote Similarity NPD7150 Approved
0.6238 Remote Similarity NPD7151 Approved
0.6231 Remote Similarity NPD7604 Phase 2
0.623 Remote Similarity NPD6012 Approved
0.623 Remote Similarity NPD6013 Approved
0.623 Remote Similarity NPD6014 Approved
0.6228 Remote Similarity NPD7748 Approved
0.6226 Remote Similarity NPD7514 Phase 3
0.6216 Remote Similarity NPD6903 Approved
0.6216 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6214 Remote Similarity NPD4190 Phase 3
0.6214 Remote Similarity NPD5275 Approved
0.621 Remote Similarity NPD6053 Discontinued
0.6207 Remote Similarity NPD7902 Approved
0.6202 Remote Similarity NPD5983 Phase 2
0.62 Remote Similarity NPD6922 Approved
0.62 Remote Similarity NPD6923 Approved
0.6195 Remote Similarity NPD8035 Phase 2
0.6195 Remote Similarity NPD8034 Phase 2
0.6195 Remote Similarity NPD7637 Suspended
0.6186 Remote Similarity NPD4159 Approved
0.6182 Remote Similarity NPD6409 Approved
0.6182 Remote Similarity NPD7334 Approved
0.6182 Remote Similarity NPD7146 Approved
0.6182 Remote Similarity NPD6684 Approved
0.6182 Remote Similarity NPD5330 Approved
0.6182 Remote Similarity NPD7521 Approved
0.6174 Remote Similarity NPD5695 Phase 3
0.6168 Remote Similarity NPD6902 Approved
0.6165 Remote Similarity NPD8336 Approved
0.6165 Remote Similarity NPD8337 Approved
0.6161 Remote Similarity NPD5328 Approved
0.6154 Remote Similarity NPD5696 Approved
0.6154 Remote Similarity NPD4225 Approved
0.6148 Remote Similarity NPD6011 Approved
0.6139 Remote Similarity NPD7144 Approved
0.6139 Remote Similarity NPD7143 Approved
0.6136 Remote Similarity NPD6336 Discontinued
0.6134 Remote Similarity NPD5211 Phase 2
0.6134 Remote Similarity NPD5224 Approved
0.6134 Remote Similarity NPD5226 Approved
0.6134 Remote Similarity NPD4633 Approved
0.6134 Remote Similarity NPD5225 Approved
0.6132 Remote Similarity NPD4195 Approved
0.6129 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6116 Remote Similarity NPD4767 Approved
0.6116 Remote Similarity NPD4768 Approved
0.6083 Remote Similarity NPD5175 Approved
0.6083 Remote Similarity NPD5174 Approved
0.6075 Remote Similarity NPD7509 Discontinued
0.6075 Remote Similarity NPD7332 Phase 2
0.6053 Remote Similarity NPD6079 Approved
0.6053 Remote Similarity NPD7515 Phase 2
0.605 Remote Similarity NPD5223 Approved
0.6036 Remote Similarity NPD3618 Phase 1
0.6034 Remote Similarity NPD5210 Approved
0.6034 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6034 Remote Similarity NPD4629 Approved
0.6033 Remote Similarity NPD5141 Approved
0.6019 Remote Similarity NPD6898 Phase 1
0.6017 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6016 Remote Similarity NPD4729 Approved
0.6016 Remote Similarity NPD4730 Approved
0.6 Remote Similarity NPD7632 Discontinued
0.6 Remote Similarity NPD3668 Phase 3
0.5982 Remote Similarity NPD4251 Approved
0.5982 Remote Similarity NPD4250 Approved
0.597 Remote Similarity NPD8074 Phase 3
0.5968 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5965 Remote Similarity NPD3168 Discontinued
0.5963 Remote Similarity NPD4223 Phase 3
0.5963 Remote Similarity NPD4221 Approved
0.5962 Remote Similarity NPD1811 Approved
0.5962 Remote Similarity NPD1810 Approved
0.595 Remote Similarity NPD4754 Approved
0.5948 Remote Similarity NPD7900 Approved
0.5948 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5946 Remote Similarity NPD5329 Approved
0.5946 Remote Similarity NPD7520 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44429637
ChEMBL   CHEMBL395646
ZINC  

Physicochemical Properties

Molecular Weight:  722.42
ALogP:  -2.7167
MLogP:  4.43
XLogP:  3.67
# Rotatable Bonds:  16
Polar Surface Area:  176.76
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  8
# Heavy Atoms:  51

Download Data

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Biological Activities  
Similar NPs/Drugs