Natural Product: NPC290481

Natural Product ID:  NPC290481
Common Name:   3Beta,13Beta-Dihydroxyurs-11-En-28-Oic Acid
IUPAC Name:   (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14aS,14bR)-10,14a-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms:  
Molecular Formula:   C30H48O4
Standard InCHIKey:  APGMOSJLBDURNK-RUOWOPRNSA-N
Standard InCHI:  InChI=1S/C30H48O4/c1-18-8-14-29(24(32)33)17-16-28(7)27(6)13-9-20-25(3,4)22(31)11-12-26(20,5)21(27)10-15-30(28,34)23(29)19(18)2/h10,15,18-23,31,34H,8-9,11-14,16-17H2,1-7H3,(H,32,33)/t18-,19+,20+,21-,22+,23-,26+,27-,28+,29+,30+/m1/s1
Canonical SMILES:  C[C@@H]1CC[C@]2([C@@H]([C@H]1C)[C@@]1(O)C=C[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=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
NPO10021 Nerium oleander Species Apocynaceae Eukaryota Leaves Niigata City, Niigata Province, Japan 2000-NOV PMID[15730243]
NPO13325 Plantago lanceolata Species Plantaginaceae Eukaryota UNPD*
NPO1607 Croton rhamnifolius Species Euphorbiaceae Eukaryota UNPD*
NPO6776 Trifolium apertum Species Fabaceae Eukaryota UNPD*
NPO3936 Malva sylvestris Species Malvaceae Eukaryota UNPD*
NPO15583 Tripodanthus acutifolius Species Loranthaceae Eukaryota UNPD*
NPO3146 Ammodendron conollyi Species Fabaceae Eukaryota UNPD*
NPO20132 Scutellaria seleriana Species Lamiaceae Eukaryota UNPD*
NPO351 Cirsium dipsacolepis Species Asteraceae Eukaryota UNPD*
NPO8840 Ptilidium ciliare Species Ptilidiaceae Eukaryota UNPD*
NPO8585 Verpa digitaliformis Species Morchellaceae Eukaryota UNPD*
NPO6520 Myrica multiflora Species Myricaceae Eukaryota UNPD*
NPO7097 Rhynchosporium orthosporum Species NA Eukaryota UNPD*
NPO5980 Eria subsessilis Species Orchidaceae Eukaryota UNPD*
NPO10021 Nerium oleander Species Apocynaceae Eukaryota UNPD*
NPO2361 Aconitum brevicalcaratum Species Ranunculaceae Eukaryota UNPD*
NPO6377 Cocculus diversifolius Species Menispermaceae Eukaryota UNPD*
NPO8472 Knightia deplanchei Species Proteaceae Eukaryota UNPD*
NPO5591 Fucus spiralis Species Fucaceae Eukaryota UNPD*
NPO6974 Solanum racemigerum Species Solanaceae Eukaryota UNPD*
NPO5197 Streptomyces eurythermus Species Streptomycetaceae Bacteria UNPD*
NPO1071 Parerythropodium fulvum NA NA NA UNPD*
NPO1308 Veronica pectinata Species Plantaginaceae Eukaryota UNPD*
NPO2342 Cytisus scoparius Species Fabaceae Eukaryota UNPD*
NPO26266 Isodon japonicus Species Lamiaceae Eukaryota UNPD*
NPO3664 Mesembryanthemum anatomicum Species Aizoaceae Eukaryota UNPD*
NPO715 Teucrium pestalozzae Species Lamiaceae Eukaryota UNPD*
NPO2518 Crinum kirkii Species Amaryllidaceae Eukaryota UNPD*
NPO4082 Ophiarthrum elegans Species Ophiocomidae Eukaryota UNPD*
NPO4253 Viguiera annua Species Asteraceae Eukaryota UNPD*
NPO2747 Hypericum triquetrifolium Species Hypericaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 = 159000 nM 15730243
NPT81 Cell Line A549 Homo sapiens IC50 > 316000 nM 15730243
NPT1475 Cell Line WI-38 VA13 Homo sapiens IC50 = 19300 nM 15730243
NPT2 Others Unspecified IC50 = 92700 nM 15730243

  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 NPC290481 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
0.9451 High Similarity NPC116457
0.9444 High Similarity NPC60692
0.9341 High Similarity NPC83693
0.9333 High Similarity NPC158059
0.9333 High Similarity NPC118519
0.9333 High Similarity NPC202728
0.9326 High Similarity NPC18872
0.9326 High Similarity NPC273621
0.9326 High Similarity NPC290614
0.9326 High Similarity NPC120968
0.9326 High Similarity NPC210037
0.9326 High Similarity NPC227467
0.9326 High Similarity NPC477872
0.9326 High Similarity NPC7260
0.9247 High Similarity NPC174663
0.9231 High Similarity NPC6818
0.9231 High Similarity NPC191412
0.9231 High Similarity NPC114159
0.9222 High Similarity NPC105189
0.9222 High Similarity NPC187722
0.9213 High Similarity NPC290972
0.9213 High Similarity NPC25906
0.9213 High Similarity NPC64872
0.914 High Similarity NPC312075
0.914 High Similarity NPC203343
0.9121 High Similarity NPC229281
0.9121 High Similarity NPC118490
0.9111 High Similarity NPC193750
0.9111 High Similarity NPC130278
0.9111 High Similarity NPC291028
0.9101 High Similarity NPC182797
0.9101 High Similarity NPC52169
0.9053 High Similarity NPC235142
0.9043 High Similarity NPC234617
0.9043 High Similarity NPC124703
0.9032 High Similarity NPC158371
0.9032 High Similarity NPC207922
0.9032 High Similarity NPC62516
0.9032 High Similarity NPC259733
0.9032 High Similarity NPC132824
0.9032 High Similarity NPC327179
0.9032 High Similarity NPC157113
0.9022 High Similarity NPC91010
0.9011 High Similarity NPC38754
0.9 High Similarity NPC274330
0.9 High Similarity NPC263393
0.9 High Similarity NPC143232
0.9 High Similarity NPC127689
0.9 High Similarity NPC225585
0.9 High Similarity NPC293048
0.9 High Similarity NPC61543
0.9 High Similarity NPC121798
0.9 High Similarity NPC59263
0.9 High Similarity NPC234346
0.9 High Similarity NPC198664
0.9 High Similarity NPC270768
0.9 High Similarity NPC281524
0.9 High Similarity NPC130520
0.8989 High Similarity NPC68160
0.8989 High Similarity NPC293564
0.8989 High Similarity NPC307426
0.8989 High Similarity NPC171203
0.8989 High Similarity NPC142415
0.8989 High Similarity NPC130577
0.8989 High Similarity NPC102683
0.8989 High Similarity NPC88716
0.8989 High Similarity NPC242468
0.8989 High Similarity NPC51700
0.8989 High Similarity NPC18064
0.8989 High Similarity NPC98442
0.8936 High Similarity NPC255589
0.8936 High Similarity NPC9613
0.8936 High Similarity NPC259788
0.8936 High Similarity NPC247139
0.8936 High Similarity NPC187933
0.8936 High Similarity NPC189880
0.8925 High Similarity NPC96916
0.8925 High Similarity NPC53565
0.8913 High Similarity NPC275809
0.8901 High Similarity NPC470589
0.8901 High Similarity NPC126369
0.8901 High Similarity NPC111110
0.8889 High Similarity NPC470629
0.8889 High Similarity NPC17733
0.8889 High Similarity NPC474512
0.8889 High Similarity NPC40552
0.8889 High Similarity NPC181225
0.8889 High Similarity NPC246708
0.8889 High Similarity NPC290690
0.8889 High Similarity NPC473242
0.8876 High Similarity NPC72638
0.883 High Similarity NPC173744
0.883 High Similarity NPC235053
0.883 High Similarity NPC73004
0.883 High Similarity NPC204961
0.8817 High Similarity NPC87095
0.8817 High Similarity NPC231063
0.8817 High Similarity NPC20235
0.8817 High Similarity NPC282395
0.8817 High Similarity NPC188102
0.8817 High Similarity NPC299996
0.8817 High Similarity NPC148964
0.8817 High Similarity NPC145667
0.8817 High Similarity NPC263548
0.8817 High Similarity NPC32407
0.8817 High Similarity NPC88116
0.8804 High Similarity NPC233455
0.8804 High Similarity NPC474525
0.8804 High Similarity NPC966
0.8804 High Similarity NPC145067
0.8804 High Similarity NPC300351
0.8804 High Similarity NPC4036
0.8804 High Similarity NPC52021
0.8804 High Similarity NPC158030
0.8804 High Similarity NPC235884
0.8804 High Similarity NPC228784
0.8804 High Similarity NPC282616
0.8804 High Similarity NPC155120
0.8804 High Similarity NPC71074
0.8804 High Similarity NPC288833
0.8804 High Similarity NPC25299
0.8804 High Similarity NPC65120
0.8804 High Similarity NPC84319
0.8804 High Similarity NPC306541
0.8804 High Similarity NPC472149
0.8804 High Similarity NPC324341
0.8791 High Similarity NPC95246
0.8791 High Similarity NPC474972
0.8791 High Similarity NPC161751
0.8791 High Similarity NPC470588
0.8788 High Similarity NPC301666
0.875 High Similarity NPC35239
0.8737 High Similarity NPC261935
0.8737 High Similarity NPC43686
0.8737 High Similarity NPC106112
0.8723 High Similarity NPC473240
0.8723 High Similarity NPC139570
0.8723 High Similarity NPC198245
0.871 High Similarity NPC474436
0.871 High Similarity NPC86368
0.871 High Similarity NPC298554
0.871 High Similarity NPC63118
0.871 High Similarity NPC307335
0.871 High Similarity NPC214756
0.871 High Similarity NPC272075
0.871 High Similarity NPC49776
0.871 High Similarity NPC74855
0.871 High Similarity NPC295643
0.871 High Similarity NPC136313
0.8696 High Similarity NPC113989
0.8696 High Similarity NPC86372
0.8696 High Similarity NPC172361
0.8696 High Similarity NPC49320
0.8696 High Similarity NPC474728
0.8696 High Similarity NPC46441
0.8696 High Similarity NPC120840
0.8667 High Similarity NPC73038
0.8667 High Similarity NPC475862
0.8667 High Similarity NPC473226
0.8667 High Similarity NPC74363
0.8667 High Similarity NPC187545
0.8667 High Similarity NPC82979
0.866 High Similarity NPC118964
0.866 High Similarity NPC54909
0.866 High Similarity NPC233012
0.866 High Similarity NPC256247
0.8646 High Similarity NPC29765
0.8646 High Similarity NPC164349
0.8646 High Similarity NPC271614
0.8646 High Similarity NPC111214
0.8632 High Similarity NPC201657
0.8632 High Similarity NPC305464
0.8632 High Similarity NPC19376
0.8632 High Similarity NPC476318
0.8632 High Similarity NPC25848
0.8632 High Similarity NPC307282
0.8632 High Similarity NPC476327
0.8617 High Similarity NPC80365
0.8617 High Similarity NPC222047
0.8617 High Similarity NPC209868
0.8617 High Similarity NPC474529
0.8617 High Similarity NPC159365
0.8602 High Similarity NPC60755
0.8602 High Similarity NPC475708
0.8602 High Similarity NPC285184
0.8602 High Similarity NPC235704
0.8602 High Similarity NPC470590
0.8602 High Similarity NPC6255
0.8602 High Similarity NPC77099
0.8602 High Similarity NPC301244
0.8602 High Similarity NPC471588
0.8587 High Similarity NPC474686
0.8587 High Similarity NPC30522
0.8571 High Similarity NPC71507
0.8571 High Similarity NPC73064
0.8556 High Similarity NPC274724
0.8556 High Similarity NPC133954
0.8542 High Similarity NPC10057
0.8526 High Similarity NPC474727
0.8526 High Similarity NPC266899

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC290481 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
0.8804 High Similarity NPD7515 Phase 2
0.8542 High Similarity NPD7902 Approved
0.8421 Intermediate Similarity NPD7748 Approved
0.8229 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8229 Intermediate Similarity NPD7900 Approved
0.7957 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7835 Intermediate Similarity NPD8035 Phase 2
0.7835 Intermediate Similarity NPD8034 Phase 2
0.7755 Intermediate Similarity NPD6399 Phase 3
0.7692 Intermediate Similarity NPD7645 Phase 2
0.7684 Intermediate Similarity NPD3618 Phase 1
0.7647 Intermediate Similarity NPD7640 Approved
0.7647 Intermediate Similarity NPD7639 Approved
0.7568 Intermediate Similarity NPD7115 Discovery
0.7549 Intermediate Similarity NPD7638 Approved
0.75 Intermediate Similarity NPD5211 Phase 2
0.7477 Intermediate Similarity NPD6881 Approved
0.7477 Intermediate Similarity NPD6899 Approved
0.7475 Intermediate Similarity NPD6079 Approved
0.7474 Intermediate Similarity NPD4786 Approved
0.7453 Intermediate Similarity NPD6675 Approved
0.7453 Intermediate Similarity NPD7128 Approved
0.7453 Intermediate Similarity NPD6402 Approved
0.7453 Intermediate Similarity NPD5739 Approved
0.7449 Intermediate Similarity NPD5328 Approved
0.7447 Intermediate Similarity NPD3667 Approved
0.7431 Intermediate Similarity NPD6649 Approved
0.7431 Intermediate Similarity NPD6650 Approved
0.7419 Intermediate Similarity NPD7525 Registered
0.7407 Intermediate Similarity NPD6373 Approved
0.7407 Intermediate Similarity NPD6372 Approved
0.74 Intermediate Similarity NPD4202 Approved
0.7383 Intermediate Similarity NPD5697 Approved
0.7358 Intermediate Similarity NPD5141 Approved
0.7339 Intermediate Similarity NPD7290 Approved
0.7339 Intermediate Similarity NPD7102 Approved
0.7339 Intermediate Similarity NPD6883 Approved
0.7315 Intermediate Similarity NPD7320 Approved
0.7315 Intermediate Similarity NPD6011 Approved
0.7308 Intermediate Similarity NPD4696 Approved
0.7308 Intermediate Similarity NPD5285 Approved
0.7308 Intermediate Similarity NPD5286 Approved
0.7283 Intermediate Similarity NPD6116 Phase 1
0.7282 Intermediate Similarity NPD4755 Approved
0.7273 Intermediate Similarity NPD6617 Approved
0.7273 Intermediate Similarity NPD6869 Approved
0.7273 Intermediate Similarity NPD6847 Approved
0.7273 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD8130 Phase 1
0.7248 Intermediate Similarity NPD6014 Approved
0.7248 Intermediate Similarity NPD6013 Approved
0.7248 Intermediate Similarity NPD6012 Approved
0.7245 Intermediate Similarity NPD3573 Approved
0.7238 Intermediate Similarity NPD5223 Approved
0.7222 Intermediate Similarity NPD5701 Approved
0.7207 Intermediate Similarity NPD6882 Approved
0.7207 Intermediate Similarity NPD8297 Approved
0.7204 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD4697 Phase 3
0.7184 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD5221 Approved
0.7184 Intermediate Similarity NPD5222 Approved
0.7174 Intermediate Similarity NPD6117 Approved
0.7172 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5225 Approved
0.717 Intermediate Similarity NPD5226 Approved
0.717 Intermediate Similarity NPD4633 Approved
0.717 Intermediate Similarity NPD5224 Approved
0.7143 Intermediate Similarity NPD4519 Discontinued
0.7143 Intermediate Similarity NPD4700 Approved
0.7143 Intermediate Similarity NPD4623 Approved
0.7129 Intermediate Similarity NPD5284 Approved
0.7129 Intermediate Similarity NPD6411 Approved
0.7129 Intermediate Similarity NPD5281 Approved
0.7117 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD5173 Approved
0.7115 Intermediate Similarity NPD6083 Phase 2
0.7115 Intermediate Similarity NPD6084 Phase 2
0.7113 Intermediate Similarity NPD3133 Approved
0.7113 Intermediate Similarity NPD3665 Phase 1
0.7113 Intermediate Similarity NPD3666 Approved
0.7103 Intermediate Similarity NPD5174 Approved
0.7103 Intermediate Similarity NPD5175 Approved
0.7091 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5779 Approved
0.7059 Intermediate Similarity NPD5778 Approved
0.7048 Intermediate Similarity NPD4225 Approved
0.7034 Intermediate Similarity NPD8328 Phase 3
0.7021 Intermediate Similarity NPD6115 Approved
0.7021 Intermediate Similarity NPD6114 Approved
0.7021 Intermediate Similarity NPD6697 Approved
0.7021 Intermediate Similarity NPD6118 Approved
0.7009 Intermediate Similarity NPD7632 Discontinued
0.7 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.6991 Remote Similarity NPD4632 Approved
0.697 Remote Similarity NPD5330 Approved
0.697 Remote Similarity NPD7146 Approved
0.697 Remote Similarity NPD7521 Approved
0.697 Remote Similarity NPD6409 Approved
0.697 Remote Similarity NPD6684 Approved
0.697 Remote Similarity NPD7334 Approved
0.697 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6957 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6944 Remote Similarity NPD4754 Approved
0.6939 Remote Similarity NPD3668 Phase 3
0.6937 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6931 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6101 Approved
0.6931 Remote Similarity NPD4753 Phase 2
0.6923 Remote Similarity NPD5210 Approved
0.6923 Remote Similarity NPD4629 Approved
0.6923 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6907 Remote Similarity NPD4269 Approved
0.6907 Remote Similarity NPD4270 Approved
0.6897 Remote Similarity NPD6335 Approved
0.6887 Remote Similarity NPD5696 Approved
0.6875 Remote Similarity NPD4819 Approved
0.6875 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4821 Approved
0.6875 Remote Similarity NPD4822 Approved
0.6875 Remote Similarity NPD4820 Approved
0.6869 Remote Similarity NPD1694 Approved
0.6857 Remote Similarity NPD7614 Phase 1
0.6847 Remote Similarity NPD4729 Approved
0.6847 Remote Similarity NPD4730 Approved
0.6838 Remote Similarity NPD7101 Approved
0.6838 Remote Similarity NPD7100 Approved
0.6832 Remote Similarity NPD6903 Approved
0.6832 Remote Similarity NPD6672 Approved
0.6832 Remote Similarity NPD5737 Approved
0.6818 Remote Similarity NPD4767 Approved
0.6818 Remote Similarity NPD4768 Approved
0.6818 Remote Similarity NPD6008 Approved
0.681 Remote Similarity NPD6009 Approved
0.681 Remote Similarity NPD6317 Approved
0.6777 Remote Similarity NPD7507 Approved
0.6762 Remote Similarity NPD5695 Phase 3
0.6752 Remote Similarity NPD6314 Approved
0.6752 Remote Similarity NPD6313 Approved
0.6735 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6735 Remote Similarity NPD4221 Approved
0.6735 Remote Similarity NPD4223 Phase 3
0.6726 Remote Similarity NPD5249 Phase 3
0.6726 Remote Similarity NPD5251 Approved
0.6726 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6726 Remote Similarity NPD5135 Approved
0.6726 Remote Similarity NPD5250 Approved
0.6726 Remote Similarity NPD5247 Approved
0.6726 Remote Similarity NPD5169 Approved
0.6726 Remote Similarity NPD5248 Approved
0.6726 Remote Similarity NPD4634 Approved
0.6724 Remote Similarity NPD6274 Approved
0.6724 Remote Similarity NPD6868 Approved
0.6723 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6702 Remote Similarity NPD7339 Approved
0.6702 Remote Similarity NPD6942 Approved
0.6702 Remote Similarity NPD8264 Approved
0.6701 Remote Similarity NPD4252 Approved
0.6701 Remote Similarity NPD4695 Discontinued
0.67 Remote Similarity NPD5363 Approved
0.67 Remote Similarity NPD5329 Approved
0.6699 Remote Similarity NPD5785 Approved
0.6696 Remote Similarity NPD8133 Approved
0.6696 Remote Similarity NPD6686 Approved
0.6696 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD5216 Approved
0.6667 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD5362 Discontinued
0.6667 Remote Similarity NPD5217 Approved
0.6667 Remote Similarity NPD4271 Approved
0.6667 Remote Similarity NPD4268 Approved
0.6667 Remote Similarity NPD7736 Approved
0.6639 Remote Similarity NPD6319 Approved
0.6635 Remote Similarity NPD7637 Suspended
0.6634 Remote Similarity NPD6098 Approved
0.6634 Remote Similarity NPD5279 Phase 3
0.6634 Remote Similarity NPD5786 Approved
0.6633 Remote Similarity NPD5369 Approved
0.6632 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6613 Remote Similarity NPD7319 Approved
0.6612 Remote Similarity NPD7604 Phase 2
0.6607 Remote Similarity NPD6412 Phase 2
0.6607 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6904 Approved
0.6602 Remote Similarity NPD6673 Approved
0.6602 Remote Similarity NPD6080 Approved
0.6602 Remote Similarity NPD6051 Approved
0.66 Remote Similarity NPD4197 Approved
0.6583 Remote Similarity NPD8516 Approved
0.6583 Remote Similarity NPD8515 Approved
0.6583 Remote Similarity NPD8517 Approved
0.6583 Remote Similarity NPD5983 Phase 2
0.6583 Remote Similarity NPD6908 Approved
0.6583 Remote Similarity NPD6909 Approved
0.6583 Remote Similarity NPD8513 Phase 3
0.6569 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6559 Remote Similarity NPD4809 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44583862
ChEMBL   CHEMBL498254
ZINC  

Physicochemical Properties

Molecular Weight:  472.36
ALogP:  0.8718
MLogP:  4.32
XLogP:  7.064
# Rotatable Bonds:  11
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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