Natural Product: NPC130278

Natural Product ID:  NPC130278
Common Name:   3Beta,6Beta,23-Trihydroxyolean-12-En-28-Oic Acid
IUPAC Name:   (4aS,6aR,6aS,6bR,8R,8aR,9R,10S,12aR,14bS)-8,10-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms:  
Molecular Formula:   C30H48O5
Standard InCHIKey:  XRRLUGUSXUFEDF-NJMQRACMSA-N
Standard InCHI:  InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-21-26(3)10-9-22(33)27(4,17-31)23(26)20(32)16-29(21,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26+,27+,28+,29+,30-/m0/s1
Canonical SMILES:  OC[C@]1(C)[C@@H](O)CC[C@]2([C@H]1[C@H](O)C[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)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
NPO30412 Kalopanax pictus Species Araliaceae Eukaryota stem bark Purchased from an herbal market at Kumsan, Chungnam, Korea 2009-AUG PMID[21870831]
NPO6331 Jacobaea subalpina Species Asteraceae Eukaryota UNPD*
NPO28656 Lactobacillus casei Species Lactobacillaceae Bacteria UNPD*
NPO10946 Scedosporium boydii Species Microascaceae Eukaryota UNPD*
NPO28073 Crateva nurvala Species Capparaceae Eukaryota UNPD*
NPO28704 Agaricus hortensis Species Agaricaceae Eukaryota UNPD*
NPO28200 Unonopsis glaucopetala Species Annonaceae Eukaryota UNPD*
NPO27990 Schizonepeta multifida Species Lamiaceae Eukaryota UNPD*
NPO20081 Mycobacterium tuberculosis Species Mycobacteriaceae Bacteria UNPD*
NPO28509 Achillea clypeolata Species Asteraceae Eukaryota UNPD*
NPO28303 Pleogyne cunninghamii Species Menispermaceae Eukaryota UNPD*
NPO30412 Kalopanax pictus Species Araliaceae Eukaryota Stems PMID[21870831]
NPO28161 Stephania sutchuenensis Species Menispermaceae Eukaryota UNPD*
NPO28614 Zieria smithii Species Rutaceae Eukaryota UNPD*
NPO28633 Bystropogon origanifolius Species Lamiaceae Eukaryota UNPD*
NPO22175 Perovskia abrotanoides Species Lamiaceae Eukaryota UNPD*
NPO28691 Streptomyces odorifer Species Streptomycetaceae Bacteria UNPD*
NPO25704 Tetraneuris acaulis Species Asteraceae Eukaryota UNPD*
NPO29115 Rhinella arenarum Species Bufonidae Eukaryota UNPD*
NPO11144 Centella asiatica Species Apiaceae Eukaryota UNPD*
NPO28528 Bridelia ferruginea Species Phyllanthaceae Eukaryota UNPD*
NPO28481 Cerbera dilatata Species Apocynaceae Eukaryota UNPD*
NPO28334 Pyrola decorata Species Ericaceae Eukaryota UNPD*
NPO12450 Cneorum pulverulentum Species Rutaceae Eukaryota UNPD*
NPO28217 Septoria pistaciarum Species Mycosphaerellaceae Eukaryota UNPD*
NPO28391 Euonymus nanoides Species Celastraceae Eukaryota UNPD*
NPO16669 Diospyros verrucosa Species Ebenaceae Eukaryota UNPD*
NPO27867 Turbo argyrostoma Species Turbinidae Eukaryota UNPD*
NPO28053 Quercus serrata Species Fagaceae Eukaryota UNPD*
NPO29353 Benzoin praecox NA NA NA UNPD*
NPO27943 Cardamine pinnata Species Brassicaceae Eukaryota UNPD*
NPO27959 Codonocarpus australis Species Gyrostemonaceae Eukaryota UNPD*
NPO1654 Schefflera arboricola Species Araliaceae Eukaryota UNPD*
NPO28596 Streptomyces lavendofoliae Species Streptomycetaceae Bacteria UNPD*
NPO28576 Berberis julianae Species Berberidaceae Eukaryota UNPD*
NPO28011 Swertia japonica Species Gentianaceae Eukaryota UNPD*
NPO28269 Rubus rosa Species Rosaceae Eukaryota UNPD*
NPO20395 Athanasia crithmifolia Species Asteraceae Eukaryota UNPD*
NPO28374 Pleogyne cunninghami Species Menispermaceae Eukaryota UNPD*
NPO28670 Mortierella elongata Species Mortierellaceae Eukaryota UNPD*
NPO11953 Lolium temulentum Species Poaceae Eukaryota UNPD*
NPO28131 Polygala amara Species Polygalaceae Eukaryota UNPD*
NPO28035 Streptomyces fumanus Species Streptomycetaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 1400 nM 21870831

  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 NPC130278 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
0.9881 High Similarity NPC290972
0.9881 High Similarity NPC61543
0.9881 High Similarity NPC293048
0.9881 High Similarity NPC225585
0.9881 High Similarity NPC127689
0.9881 High Similarity NPC25906
0.9881 High Similarity NPC59263
0.9881 High Similarity NPC121798
0.9881 High Similarity NPC64872
0.9881 High Similarity NPC270768
0.9881 High Similarity NPC263393
0.9881 High Similarity NPC130520
0.9881 High Similarity NPC234346
0.9767 High Similarity NPC229281
0.9765 High Similarity NPC111110
0.9765 High Similarity NPC18872
0.9765 High Similarity NPC477872
0.9765 High Similarity NPC126369
0.9765 High Similarity NPC7260
0.9765 High Similarity NPC470589
0.9765 High Similarity NPC273621
0.9765 High Similarity NPC120968
0.9765 High Similarity NPC227467
0.9765 High Similarity NPC290614
0.9765 High Similarity NPC210037
0.9762 High Similarity NPC52169
0.9762 High Similarity NPC182797
0.9655 High Similarity NPC263548
0.9655 High Similarity NPC88116
0.9655 High Similarity NPC191412
0.9655 High Similarity NPC32407
0.9655 High Similarity NPC114159
0.9655 High Similarity NPC20235
0.9655 High Similarity NPC231063
0.9655 High Similarity NPC145667
0.9655 High Similarity NPC299996
0.9655 High Similarity NPC282395
0.9655 High Similarity NPC6818
0.9651 High Similarity NPC324341
0.9651 High Similarity NPC288833
0.9651 High Similarity NPC966
0.9651 High Similarity NPC105189
0.9651 High Similarity NPC282616
0.9651 High Similarity NPC187722
0.9651 High Similarity NPC155120
0.9651 High Similarity NPC228784
0.9647 High Similarity NPC274330
0.9647 High Similarity NPC143232
0.9647 High Similarity NPC198664
0.9643 High Similarity NPC171203
0.9643 High Similarity NPC51700
0.9643 High Similarity NPC88716
0.9643 High Similarity NPC142415
0.9643 High Similarity NPC102683
0.9643 High Similarity NPC242468
0.9643 High Similarity NPC68160
0.9643 High Similarity NPC18064
0.9643 High Similarity NPC293564
0.9643 High Similarity NPC98442
0.9643 High Similarity NPC307426
0.9643 High Similarity NPC130577
0.954 High Similarity NPC118519
0.954 High Similarity NPC202728
0.954 High Similarity NPC158059
0.954 High Similarity NPC118490
0.954 High Similarity NPC86368
0.9535 High Similarity NPC291028
0.9535 High Similarity NPC86372
0.9535 High Similarity NPC172361
0.9535 High Similarity NPC193750
0.9529 High Similarity NPC181225
0.9529 High Similarity NPC474512
0.9529 High Similarity NPC40552
0.9529 High Similarity NPC473242
0.9529 High Similarity NPC470629
0.9529 High Similarity NPC17733
0.9529 High Similarity NPC246708
0.9529 High Similarity NPC290690
0.9524 High Similarity NPC72638
0.9438 High Similarity NPC201657
0.9438 High Similarity NPC132824
0.9438 High Similarity NPC25848
0.9438 High Similarity NPC116457
0.9438 High Similarity NPC307282
0.9438 High Similarity NPC204961
0.9438 High Similarity NPC19376
0.9438 High Similarity NPC476327
0.9438 High Similarity NPC305464
0.9438 High Similarity NPC73004
0.9438 High Similarity NPC173744
0.9438 High Similarity NPC476318
0.9432 High Similarity NPC222047
0.9432 High Similarity NPC159365
0.9425 High Similarity NPC84319
0.9425 High Similarity NPC6255
0.9425 High Similarity NPC158030
0.9425 High Similarity NPC25299
0.9425 High Similarity NPC233455
0.9425 High Similarity NPC4036
0.9425 High Similarity NPC145067
0.9425 High Similarity NPC472149
0.9425 High Similarity NPC474525
0.9425 High Similarity NPC65120
0.9425 High Similarity NPC306541
0.9425 High Similarity NPC235884
0.9425 High Similarity NPC52021
0.9425 High Similarity NPC475708
0.9425 High Similarity NPC38754
0.9425 High Similarity NPC471588
0.9425 High Similarity NPC71074
0.9425 High Similarity NPC300351
0.9419 High Similarity NPC474972
0.9419 High Similarity NPC470588
0.9419 High Similarity NPC95246
0.9419 High Similarity NPC161751
0.9333 High Similarity NPC261935
0.9333 High Similarity NPC247139
0.9333 High Similarity NPC9613
0.9333 High Similarity NPC106112
0.9326 High Similarity NPC148523
0.9326 High Similarity NPC96916
0.9326 High Similarity NPC32118
0.9326 High Similarity NPC139570
0.9326 High Similarity NPC83693
0.9326 High Similarity NPC473240
0.9318 High Similarity NPC275809
0.9318 High Similarity NPC307335
0.9318 High Similarity NPC74855
0.9318 High Similarity NPC295643
0.9318 High Similarity NPC272075
0.9318 High Similarity NPC298554
0.9318 High Similarity NPC214756
0.9318 High Similarity NPC136313
0.931 High Similarity NPC113989
0.931 High Similarity NPC120840
0.931 High Similarity NPC49320
0.931 High Similarity NPC474728
0.931 High Similarity NPC46441
0.9294 High Similarity NPC213412
0.9231 High Similarity NPC29765
0.9231 High Similarity NPC174663
0.9231 High Similarity NPC271614
0.9231 High Similarity NPC111214
0.9231 High Similarity NPC164349
0.9222 High Similarity NPC259733
0.9222 High Similarity NPC158371
0.9222 High Similarity NPC62516
0.9222 High Similarity NPC327179
0.9222 High Similarity NPC157113
0.9222 High Similarity NPC98874
0.9222 High Similarity NPC207922
0.9213 High Similarity NPC80365
0.9213 High Similarity NPC209868
0.9213 High Similarity NPC184006
0.9213 High Similarity NPC78580
0.9213 High Similarity NPC474529
0.9213 High Similarity NPC23621
0.9213 High Similarity NPC91010
0.9213 High Similarity NPC60692
0.9205 High Similarity NPC77099
0.9205 High Similarity NPC285184
0.9205 High Similarity NPC60755
0.9205 High Similarity NPC470590
0.9195 High Similarity NPC474686
0.9195 High Similarity NPC30522
0.9186 High Similarity NPC71507
0.9176 High Similarity NPC133954
0.913 High Similarity NPC35239
0.9121 High Similarity NPC43686
0.9121 High Similarity NPC189880
0.9121 High Similarity NPC476878
0.9121 High Similarity NPC259788
0.9121 High Similarity NPC476879
0.9121 High Similarity NPC255589
0.9121 High Similarity NPC187933
0.9111 High Similarity NPC290481
0.9111 High Similarity NPC23241
0.9111 High Similarity NPC474727
0.9111 High Similarity NPC198245
0.9111 High Similarity NPC195715
0.9101 High Similarity NPC474806
0.9101 High Similarity NPC63118
0.9101 High Similarity NPC474436
0.9101 High Similarity NPC133579
0.9101 High Similarity NPC49776
0.907 High Similarity NPC95594
0.907 High Similarity NPC73038
0.907 High Similarity NPC74363
0.907 High Similarity NPC477579
0.907 High Similarity NPC235341
0.907 High Similarity NPC475862
0.9059 High Similarity NPC171789
0.9032 High Similarity NPC118964
0.9032 High Similarity NPC256247
0.9022 High Similarity NPC260149
0.9022 High Similarity NPC58942
0.9011 High Similarity NPC230151
0.9011 High Similarity NPC88847
0.9 High Similarity NPC74751
0.9 High Similarity NPC87095

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC130278 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
0.9425 High Similarity NPD7515 Phase 2
0.9 High Similarity NPD7748 Approved
0.8913 High Similarity NPD7902 Approved
0.8587 High Similarity NPD7900 Approved
0.8587 High Similarity NPD7901 Clinical (unspecified phase)
0.8523 High Similarity NPD7520 Clinical (unspecified phase)
0.8471 Intermediate Similarity NPD7645 Phase 2
0.8172 Intermediate Similarity NPD8034 Phase 2
0.8172 Intermediate Similarity NPD8035 Phase 2
0.8085 Intermediate Similarity NPD6399 Phase 3
0.8022 Intermediate Similarity NPD3618 Phase 1
0.8 Intermediate Similarity NPD4786 Approved
0.7978 Intermediate Similarity NPD3667 Approved
0.7957 Intermediate Similarity NPD5328 Approved
0.7921 Intermediate Similarity NPD7128 Approved
0.7921 Intermediate Similarity NPD5739 Approved
0.7921 Intermediate Similarity NPD6675 Approved
0.7921 Intermediate Similarity NPD6402 Approved
0.7789 Intermediate Similarity NPD6079 Approved
0.7767 Intermediate Similarity NPD6899 Approved
0.7767 Intermediate Similarity NPD7320 Approved
0.7767 Intermediate Similarity NPD6881 Approved
0.7766 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD4755 Approved
0.7753 Intermediate Similarity NPD7525 Registered
0.7708 Intermediate Similarity NPD4202 Approved
0.7692 Intermediate Similarity NPD6372 Approved
0.7692 Intermediate Similarity NPD6373 Approved
0.7677 Intermediate Similarity NPD7638 Approved
0.767 Intermediate Similarity NPD5697 Approved
0.767 Intermediate Similarity NPD5701 Approved
0.766 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD6883 Approved
0.7619 Intermediate Similarity NPD7290 Approved
0.7619 Intermediate Similarity NPD7102 Approved
0.7614 Intermediate Similarity NPD6116 Phase 1
0.7609 Intermediate Similarity NPD3665 Phase 1
0.7609 Intermediate Similarity NPD3133 Approved
0.7609 Intermediate Similarity NPD3666 Approved
0.7604 Intermediate Similarity NPD6411 Approved
0.76 Intermediate Similarity NPD5286 Approved
0.76 Intermediate Similarity NPD4700 Approved
0.76 Intermediate Similarity NPD4696 Approved
0.76 Intermediate Similarity NPD5285 Approved
0.76 Intermediate Similarity NPD7640 Approved
0.76 Intermediate Similarity NPD7639 Approved
0.7576 Intermediate Similarity NPD6084 Phase 2
0.7576 Intermediate Similarity NPD6083 Phase 2
0.7547 Intermediate Similarity NPD6617 Approved
0.7547 Intermediate Similarity NPD6847 Approved
0.7547 Intermediate Similarity NPD6650 Approved
0.7547 Intermediate Similarity NPD6869 Approved
0.7547 Intermediate Similarity NPD6649 Approved
0.7547 Intermediate Similarity NPD8130 Phase 1
0.7524 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD6014 Approved
0.7524 Intermediate Similarity NPD6013 Approved
0.7524 Intermediate Similarity NPD6012 Approved
0.75 Intermediate Similarity NPD6117 Approved
0.7477 Intermediate Similarity NPD6882 Approved
0.7477 Intermediate Similarity NPD8297 Approved
0.7475 Intermediate Similarity NPD5221 Approved
0.7475 Intermediate Similarity NPD5222 Approved
0.7475 Intermediate Similarity NPD4697 Phase 3
0.7475 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD5224 Approved
0.7451 Intermediate Similarity NPD5211 Phase 2
0.7451 Intermediate Similarity NPD5225 Approved
0.7451 Intermediate Similarity NPD5226 Approved
0.7451 Intermediate Similarity NPD4633 Approved
0.7447 Intermediate Similarity NPD6684 Approved
0.7447 Intermediate Similarity NPD7334 Approved
0.7447 Intermediate Similarity NPD7146 Approved
0.7447 Intermediate Similarity NPD6409 Approved
0.7447 Intermediate Similarity NPD5330 Approved
0.7447 Intermediate Similarity NPD7521 Approved
0.7434 Intermediate Similarity NPD8328 Phase 3
0.7429 Intermediate Similarity NPD6011 Approved
0.7419 Intermediate Similarity NPD3668 Phase 3
0.74 Intermediate Similarity NPD5173 Approved
0.7396 Intermediate Similarity NPD6101 Approved
0.7396 Intermediate Similarity NPD4753 Phase 2
0.7396 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD5175 Approved
0.7379 Intermediate Similarity NPD5174 Approved
0.7368 Intermediate Similarity NPD3573 Approved
0.7364 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD5223 Approved
0.7333 Intermediate Similarity NPD6697 Approved
0.7333 Intermediate Similarity NPD6114 Approved
0.7333 Intermediate Similarity NPD6115 Approved
0.7333 Intermediate Similarity NPD6118 Approved
0.7308 Intermediate Similarity NPD5141 Approved
0.73 Intermediate Similarity NPD7614 Phase 1
0.7292 Intermediate Similarity NPD6672 Approved
0.7292 Intermediate Similarity NPD6903 Approved
0.7292 Intermediate Similarity NPD5737 Approved
0.7273 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD4768 Approved
0.7238 Intermediate Similarity NPD4767 Approved
0.7212 Intermediate Similarity NPD4754 Approved
0.7207 Intermediate Similarity NPD7115 Discovery
0.72 Intermediate Similarity NPD5695 Phase 3
0.7191 Intermediate Similarity NPD6942 Approved
0.7191 Intermediate Similarity NPD7339 Approved
0.7174 Intermediate Similarity NPD4695 Discontinued
0.717 Intermediate Similarity NPD6412 Phase 2
0.7157 Intermediate Similarity NPD5696 Approved
0.7117 Intermediate Similarity NPD6274 Approved
0.7111 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD4730 Approved
0.7103 Intermediate Similarity NPD5128 Approved
0.7103 Intermediate Similarity NPD4729 Approved
0.7091 Intermediate Similarity NPD4632 Approved
0.7083 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD5279 Phase 3
0.708 Intermediate Similarity NPD7101 Approved
0.708 Intermediate Similarity NPD7100 Approved
0.7071 Intermediate Similarity NPD5281 Approved
0.7071 Intermediate Similarity NPD5284 Approved
0.7037 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5210 Approved
0.703 Intermediate Similarity NPD4629 Approved
0.7021 Intermediate Similarity NPD4223 Phase 3
0.7021 Intermediate Similarity NPD4221 Approved
0.7 Intermediate Similarity NPD5779 Approved
0.7 Intermediate Similarity NPD5778 Approved
0.6991 Remote Similarity NPD6335 Approved
0.699 Remote Similarity NPD4225 Approved
0.6979 Remote Similarity NPD5329 Approved
0.6972 Remote Similarity NPD5250 Approved
0.6972 Remote Similarity NPD5249 Phase 3
0.6972 Remote Similarity NPD5248 Approved
0.6972 Remote Similarity NPD5247 Approved
0.6972 Remote Similarity NPD5251 Approved
0.6972 Remote Similarity NPD4634 Approved
0.6964 Remote Similarity NPD6868 Approved
0.6961 Remote Similarity NPD7732 Phase 3
0.6957 Remote Similarity NPD6908 Approved
0.6957 Remote Similarity NPD6909 Approved
0.6952 Remote Similarity NPD7632 Discontinued
0.6947 Remote Similarity NPD4788 Approved
0.6944 Remote Similarity NPD6686 Approved
0.6937 Remote Similarity NPD8133 Approved
0.6916 Remote Similarity NPD6008 Approved
0.6909 Remote Similarity NPD5217 Approved
0.6909 Remote Similarity NPD5216 Approved
0.6909 Remote Similarity NPD5215 Approved
0.6907 Remote Similarity NPD6098 Approved
0.6903 Remote Similarity NPD6317 Approved
0.6903 Remote Similarity NPD6009 Approved
0.6891 Remote Similarity NPD7736 Approved
0.6875 Remote Similarity NPD4197 Approved
0.687 Remote Similarity NPD6319 Approved
0.6869 Remote Similarity NPD6673 Approved
0.6869 Remote Similarity NPD6904 Approved
0.6869 Remote Similarity NPD6080 Approved
0.6864 Remote Similarity NPD7507 Approved
0.6854 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6854 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6313 Approved
0.6842 Remote Similarity NPD6314 Approved
0.6842 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5135 Approved
0.6818 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6818 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5169 Approved
0.6818 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6809 Remote Similarity NPD5368 Approved
0.6789 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6789 Remote Similarity NPD5168 Approved
0.678 Remote Similarity NPD7492 Approved
0.6774 Remote Similarity NPD3617 Approved
0.6774 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5127 Approved
0.6735 Remote Similarity NPD4693 Phase 3
0.6735 Remote Similarity NPD4689 Approved
0.6735 Remote Similarity NPD4688 Approved
0.6735 Remote Similarity NPD4138 Approved
0.6735 Remote Similarity NPD5205 Approved
0.6735 Remote Similarity NPD4623 Approved
0.6735 Remote Similarity NPD4690 Approved
0.6735 Remote Similarity NPD4519 Discontinued
0.6724 Remote Similarity NPD6054 Approved
0.6724 Remote Similarity NPD6059 Approved
0.6723 Remote Similarity NPD6616 Approved
0.6695 Remote Similarity NPD7604 Phase 2
0.6694 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8293 Discontinued
0.6667 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD6435 Approved
0.6667 Remote Similarity NPD7078 Approved
0.6633 Remote Similarity NPD1694 Approved
0.6632 Remote Similarity NPD8259 Clinical (unspecified phase)
0.663 Remote Similarity NPD3703 Phase 2
0.661 Remote Similarity NPD6370 Approved

Structure

External Identifiers

PubChem CID   57397367
ChEMBL   CHEMBL1910839
ZINC  

Physicochemical Properties

Molecular Weight:  488.35
ALogP:  0.2728
MLogP:  4.21
XLogP:  6.475
# Rotatable Bonds:  12
Polar Surface Area:  97.99
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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