Natural Product: NPC220498

Natural Product ID:  NPC220498
Common Name:   Alphitolic Acid
IUPAC Name:   (1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-9,10-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
Synonyms:   Alphitolic Acid
Molecular Formula:   C30H48O4
Standard InCHIKey:  PFCVZKFJHRCLCC-PGOIBATFSA-N
Standard InCHI:  InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
Canonical SMILES:  CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)C[C@@H](O)[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
NPO15360 Stephania hispidula Species Menispermaceae Eukaryota UNPD*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO17720 Andropogon laniger Species Poaceae Eukaryota UNPD*
NPO19129 Oxytropis pseudoglandulosa Species Fabaceae Eukaryota UNPD*
NPO12652 Xylosalsola richteri Species Chenopodiaceae Eukaryota UNPD*
NPO3165 Cochlospermum tinctorium Species Bixaceae Eukaryota PMID[12350157]
NPO32998 zizyphus cambodiana Species Rhamnaceae Eukaryota PMID[18842418]
NPO17392 Ipomoea hederacea Species Convolvulaceae Eukaryota UNPD*
NPO26000 Breynia fruticosa Species Phyllanthaceae Eukaryota Root PMID[21428418]
NPO16655 Rabdosia flexicaulis Species Lamiaceae Eukaryota UNPD*
NPO25532 Blitum virgatum Species Chenopodiaceae Eukaryota UNPD*
NPO1604 Micranthes stellaris Species Saxifragaceae Eukaryota UNPD*
NPO16834 Baccharis sarothroides Species Asteraceae Eukaryota UNPD*
NPO3113 Xyris semifuscata Species Xyridaceae Eukaryota UNPD*
NPO25482 Phyllogeiton zeyheri NA NA NA UNPD*
NPO26183 Scabiosa pyrenaica Species Caprifoliaceae Eukaryota UNPD*
NPO18307 Peltigera venosa Species Peltigeraceae Eukaryota UNPD*
NPO829 Vaccaria hispanica Species Caryophyllaceae Eukaryota UNPD*
NPO13976 Sonchus gummifer Species Asteraceae Eukaryota UNPD*
NPO18712 Malus sieboldii Species Rosaceae Eukaryota UNPD*
NPO23780 Psoroma crassum Species Pannariaceae Eukaryota UNPD*
NPO3125 Scaphechinus mirabilis Species Scutellidae Eukaryota UNPD*
NPO26828 Barbarea verna Species Brassicaceae Eukaryota UNPD*
NPO13598 Pedicularis plicata Species Orobanchaceae Eukaryota UNPD*
NPO2201 Orthocaulis attenuatus Species Anastrophyllaceae Eukaryota UNPD*
NPO15625 Umbilicaria spodochroa Species Umbilicariaceae Eukaryota UNPD*
NPO18521 Capparis flavicans Species Capparaceae Eukaryota UNPD*
NPO17604 Lasioderma serricorne Species Anobiidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT759 Cell Line H9 Homo sapiens EC50 = 20 ug/ml 9748372
NPT2 Others Unspecified Ratio IC50/EC50 = 0.25 9748372
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 IC50 = 4 ug/ml 9748372
NPT1896 Individual Protein Zinc finger protein GLI1 Homo sapiens IC50 = 42000 nM 18842418
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 41000 nM 18842418
NPT90 Cell Line DU-145 Homo sapiens IC50 = 70000 nM 18842418
NPT1896 Individual Protein Zinc finger protein GLI1 Homo sapiens IC50 = 42000 nM 19309080
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 35000 nM 12350157

  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 NPC220498 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
0.9651 High Similarity NPC291373
0.9639 High Similarity NPC2783
0.954 High Similarity NPC277399
0.9524 High Similarity NPC264005
0.9524 High Similarity NPC33768
0.9524 High Similarity NPC269360
0.9518 High Similarity NPC294438
0.9518 High Similarity NPC264317
0.9412 High Similarity NPC474719
0.9412 High Similarity NPC16377
0.9405 High Similarity NPC12774
0.9302 High Similarity NPC57954
0.9302 High Similarity NPC213832
0.9195 High Similarity NPC169933
0.9186 High Similarity NPC4309
0.9186 High Similarity NPC471900
0.9091 High Similarity NPC189520
0.908 High Similarity NPC247312
0.908 High Similarity NPC271974
0.9048 High Similarity NPC475726
0.9048 High Similarity NPC472743
0.8989 High Similarity NPC287118
0.8989 High Similarity NPC244356
0.8989 High Similarity NPC471902
0.8989 High Similarity NPC224060
0.8989 High Similarity NPC473690
0.8941 High Similarity NPC74595
0.8941 High Similarity NPC264665
0.8941 High Similarity NPC475745
0.8941 High Similarity NPC474482
0.8876 High Similarity NPC160506
0.8876 High Similarity NPC71074
0.8876 High Similarity NPC25299
0.8876 High Similarity NPC306541
0.8876 High Similarity NPC84319
0.8876 High Similarity NPC472149
0.8876 High Similarity NPC52021
0.8876 High Similarity NPC300351
0.8876 High Similarity NPC471901
0.8876 High Similarity NPC235884
0.8876 High Similarity NPC475416
0.8837 High Similarity NPC201655
0.8837 High Similarity NPC292553
0.8837 High Similarity NPC98270
0.8824 High Similarity NPC471037
0.8778 High Similarity NPC307335
0.8778 High Similarity NPC74855
0.8778 High Similarity NPC275809
0.8778 High Similarity NPC136313
0.8764 High Similarity NPC49320
0.875 High Similarity NPC146937
0.8736 High Similarity NPC472738
0.8736 High Similarity NPC187545
0.8736 High Similarity NPC98236
0.8736 High Similarity NPC269396
0.8721 High Similarity NPC474233
0.8721 High Similarity NPC475509
0.8681 High Similarity NPC303863
0.8681 High Similarity NPC299996
0.8681 High Similarity NPC32407
0.8681 High Similarity NPC20235
0.8681 High Similarity NPC282395
0.8681 High Similarity NPC88116
0.8681 High Similarity NPC231063
0.8681 High Similarity NPC145667
0.8681 High Similarity NPC263548
0.8675 High Similarity NPC102708
0.8652 High Similarity NPC475921
0.8652 High Similarity NPC474704
0.8636 High Similarity NPC142361
0.8636 High Similarity NPC474684
0.8636 High Similarity NPC57469
0.8636 High Similarity NPC4643
0.8605 High Similarity NPC245866
0.8605 High Similarity NPC5280
0.8587 High Similarity NPC198245
0.8587 High Similarity NPC96916
0.8571 High Similarity NPC201459
0.8571 High Similarity NPC133579
0.8571 High Similarity NPC474806
0.8571 High Similarity NPC192744
0.8571 High Similarity NPC475061
0.8554 High Similarity NPC68828
0.8554 High Similarity NPC298168
0.8554 High Similarity NPC143133
0.8539 High Similarity NPC52169
0.8539 High Similarity NPC182797
0.8539 High Similarity NPC255176
0.8539 High Similarity NPC472739
0.8539 High Similarity NPC242864
0.8523 High Similarity NPC70661
0.8523 High Similarity NPC168231
0.8523 High Similarity NPC475007
0.8523 High Similarity NPC28252
0.8523 High Similarity NPC55309
0.8523 High Similarity NPC80590
0.8495 Intermediate Similarity NPC201657
0.8495 Intermediate Similarity NPC19376
0.8495 Intermediate Similarity NPC204961
0.8495 Intermediate Similarity NPC259733
0.8495 Intermediate Similarity NPC173744
0.8495 Intermediate Similarity NPC158371
0.8495 Intermediate Similarity NPC73004
0.8495 Intermediate Similarity NPC305464
0.8495 Intermediate Similarity NPC307282
0.8495 Intermediate Similarity NPC104568
0.8495 Intermediate Similarity NPC207922
0.8495 Intermediate Similarity NPC25848
0.8495 Intermediate Similarity NPC230151
0.8488 Intermediate Similarity NPC121121
0.8478 Intermediate Similarity NPC87095
0.8478 Intermediate Similarity NPC188102
0.8444 Intermediate Similarity NPC61543
0.8444 Intermediate Similarity NPC225585
0.8444 Intermediate Similarity NPC293048
0.8444 Intermediate Similarity NPC234346
0.8444 Intermediate Similarity NPC25906
0.8444 Intermediate Similarity NPC59263
0.8444 Intermediate Similarity NPC143232
0.8444 Intermediate Similarity NPC198664
0.8444 Intermediate Similarity NPC270768
0.8444 Intermediate Similarity NPC274330
0.8444 Intermediate Similarity NPC290972
0.8444 Intermediate Similarity NPC263393
0.8444 Intermediate Similarity NPC127689
0.8444 Intermediate Similarity NPC121798
0.8444 Intermediate Similarity NPC64872
0.8444 Intermediate Similarity NPC130520
0.8434 Intermediate Similarity NPC246445
0.8434 Intermediate Similarity NPC4209
0.8427 Intermediate Similarity NPC159046
0.8427 Intermediate Similarity NPC102683
0.8427 Intermediate Similarity NPC51700
0.8427 Intermediate Similarity NPC233836
0.8427 Intermediate Similarity NPC88716
0.8427 Intermediate Similarity NPC134197
0.8427 Intermediate Similarity NPC98442
0.8427 Intermediate Similarity NPC130577
0.8427 Intermediate Similarity NPC187376
0.8427 Intermediate Similarity NPC293564
0.8427 Intermediate Similarity NPC242468
0.8427 Intermediate Similarity NPC18064
0.8427 Intermediate Similarity NPC68160
0.8427 Intermediate Similarity NPC171203
0.8427 Intermediate Similarity NPC307426
0.8427 Intermediate Similarity NPC142415
0.8409 Intermediate Similarity NPC76518
0.8404 Intermediate Similarity NPC261935
0.8404 Intermediate Similarity NPC247139
0.8404 Intermediate Similarity NPC259788
0.8404 Intermediate Similarity NPC43686
0.8404 Intermediate Similarity NPC255589
0.8404 Intermediate Similarity NPC9613
0.8404 Intermediate Similarity NPC106112
0.8404 Intermediate Similarity NPC470425
0.8387 Intermediate Similarity NPC205173
0.8387 Intermediate Similarity NPC266431
0.8387 Intermediate Similarity NPC263135
0.8387 Intermediate Similarity NPC32118
0.8387 Intermediate Similarity NPC288906
0.8387 Intermediate Similarity NPC279974
0.8372 Intermediate Similarity NPC474484
0.8372 Intermediate Similarity NPC12933
0.8372 Intermediate Similarity NPC103754
0.837 Intermediate Similarity NPC294263
0.837 Intermediate Similarity NPC470375
0.837 Intermediate Similarity NPC470376
0.8352 Intermediate Similarity NPC126369
0.8352 Intermediate Similarity NPC227467
0.8352 Intermediate Similarity NPC111110
0.8352 Intermediate Similarity NPC210037
0.8352 Intermediate Similarity NPC477872
0.8352 Intermediate Similarity NPC273621
0.8352 Intermediate Similarity NPC7260
0.8352 Intermediate Similarity NPC471896
0.8352 Intermediate Similarity NPC469400
0.8352 Intermediate Similarity NPC120968
0.8352 Intermediate Similarity NPC290614
0.8352 Intermediate Similarity NPC291028
0.8352 Intermediate Similarity NPC18872
0.8352 Intermediate Similarity NPC130278
0.8352 Intermediate Similarity NPC470589
0.8333 Intermediate Similarity NPC207010
0.8333 Intermediate Similarity NPC17733
0.8333 Intermediate Similarity NPC66105
0.8333 Intermediate Similarity NPC473242
0.8333 Intermediate Similarity NPC181225
0.8333 Intermediate Similarity NPC40552
0.8333 Intermediate Similarity NPC317913
0.8333 Intermediate Similarity NPC474433
0.8333 Intermediate Similarity NPC246708
0.8333 Intermediate Similarity NPC183374
0.8333 Intermediate Similarity NPC211162
0.8333 Intermediate Similarity NPC470629
0.8333 Intermediate Similarity NPC474512
0.8333 Intermediate Similarity NPC290690
0.8316 Intermediate Similarity NPC29765
0.8316 Intermediate Similarity NPC111214
0.8316 Intermediate Similarity NPC271614
0.8316 Intermediate Similarity NPC188833

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC220498 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
0.9518 High Similarity NPD7520 Clinical (unspecified phase)
0.8876 High Similarity NPD8035 Phase 2
0.8876 High Similarity NPD8034 Phase 2
0.8434 Intermediate Similarity NPD6117 Approved
0.8333 Intermediate Similarity NPD6116 Phase 1
0.8261 Intermediate Similarity NPD7515 Phase 2
0.8235 Intermediate Similarity NPD6114 Approved
0.8235 Intermediate Similarity NPD6115 Approved
0.8235 Intermediate Similarity NPD6118 Approved
0.8235 Intermediate Similarity NPD6697 Approved
0.8193 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD7748 Approved
0.7889 Intermediate Similarity NPD4786 Approved
0.7849 Intermediate Similarity NPD5328 Approved
0.7789 Intermediate Similarity NPD6399 Phase 3
0.7778 Intermediate Similarity NPD4788 Approved
0.7738 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD3618 Phase 1
0.7684 Intermediate Similarity NPD6079 Approved
0.7667 Intermediate Similarity NPD3667 Approved
0.7653 Intermediate Similarity NPD7902 Approved
0.764 Intermediate Similarity NPD7525 Registered
0.7576 Intermediate Similarity NPD7638 Approved
0.75 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7640 Approved
0.75 Intermediate Similarity NPD7639 Approved
0.7476 Intermediate Similarity NPD5739 Approved
0.7476 Intermediate Similarity NPD6675 Approved
0.7476 Intermediate Similarity NPD7128 Approved
0.7476 Intermediate Similarity NPD6402 Approved
0.7423 Intermediate Similarity NPD4202 Approved
0.7374 Intermediate Similarity NPD5221 Approved
0.7374 Intermediate Similarity NPD5222 Approved
0.7374 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD4697 Phase 3
0.7368 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD7900 Approved
0.7347 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6881 Approved
0.7333 Intermediate Similarity NPD6899 Approved
0.7333 Intermediate Similarity NPD7320 Approved
0.7326 Intermediate Similarity NPD6081 Approved
0.7315 Intermediate Similarity NPD8133 Approved
0.7312 Intermediate Similarity NPD3133 Approved
0.7312 Intermediate Similarity NPD3665 Phase 1
0.7312 Intermediate Similarity NPD3666 Approved
0.73 Intermediate Similarity NPD6083 Phase 2
0.73 Intermediate Similarity NPD5173 Approved
0.73 Intermediate Similarity NPD6084 Phase 2
0.73 Intermediate Similarity NPD4755 Approved
0.7294 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3703 Phase 2
0.7273 Intermediate Similarity NPD7115 Discovery
0.7264 Intermediate Similarity NPD6372 Approved
0.7264 Intermediate Similarity NPD6373 Approved
0.7238 Intermediate Similarity NPD5701 Approved
0.7238 Intermediate Similarity NPD5697 Approved
0.7222 Intermediate Similarity NPD8297 Approved
0.7209 Intermediate Similarity NPD4245 Approved
0.7209 Intermediate Similarity NPD4789 Approved
0.7209 Intermediate Similarity NPD4244 Approved
0.7196 Intermediate Similarity NPD7290 Approved
0.7196 Intermediate Similarity NPD7102 Approved
0.7196 Intermediate Similarity NPD6883 Approved
0.7188 Intermediate Similarity NPD5737 Approved
0.7188 Intermediate Similarity NPD6672 Approved
0.7176 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD5360 Phase 3
0.717 Intermediate Similarity NPD6011 Approved
0.7158 Intermediate Similarity NPD7146 Approved
0.7158 Intermediate Similarity NPD7521 Approved
0.7158 Intermediate Similarity NPD7334 Approved
0.7158 Intermediate Similarity NPD6409 Approved
0.7158 Intermediate Similarity NPD6684 Approved
0.7158 Intermediate Similarity NPD5330 Approved
0.7157 Intermediate Similarity NPD5285 Approved
0.7157 Intermediate Similarity NPD5286 Approved
0.7157 Intermediate Similarity NPD4700 Approved
0.7157 Intermediate Similarity NPD4696 Approved
0.7156 Intermediate Similarity NPD4632 Approved
0.7143 Intermediate Similarity NPD4224 Phase 2
0.7143 Intermediate Similarity NPD7645 Phase 2
0.713 Intermediate Similarity NPD6869 Approved
0.713 Intermediate Similarity NPD6617 Approved
0.713 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD8130 Phase 1
0.713 Intermediate Similarity NPD6650 Approved
0.713 Intermediate Similarity NPD6649 Approved
0.713 Intermediate Similarity NPD6847 Approved
0.7128 Intermediate Similarity NPD3668 Phase 3
0.7113 Intermediate Similarity NPD4753 Phase 2
0.7103 Intermediate Similarity NPD6013 Approved
0.7103 Intermediate Similarity NPD6014 Approved
0.7103 Intermediate Similarity NPD6012 Approved
0.7093 Intermediate Similarity NPD3698 Phase 2
0.7087 Intermediate Similarity NPD5223 Approved
0.7079 Intermediate Similarity NPD6942 Approved
0.7079 Intermediate Similarity NPD7339 Approved
0.7064 Intermediate Similarity NPD6882 Approved
0.7024 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD5225 Approved
0.7019 Intermediate Similarity NPD4633 Approved
0.7019 Intermediate Similarity NPD5226 Approved
0.7019 Intermediate Similarity NPD7632 Discontinued
0.7019 Intermediate Similarity NPD5224 Approved
0.7019 Intermediate Similarity NPD5211 Phase 2
0.701 Intermediate Similarity NPD6903 Approved
0.6979 Remote Similarity NPD5279 Phase 3
0.6952 Remote Similarity NPD5174 Approved
0.6952 Remote Similarity NPD5175 Approved
0.6952 Remote Similarity NPD4754 Approved
0.6944 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6932 Remote Similarity NPD5777 Approved
0.6931 Remote Similarity NPD5695 Phase 3
0.6931 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7507 Approved
0.6916 Remote Similarity NPD6412 Phase 2
0.6915 Remote Similarity NPD4223 Phase 3
0.6915 Remote Similarity NPD4221 Approved
0.6893 Remote Similarity NPD5696 Approved
0.6889 Remote Similarity NPD3702 Approved
0.6887 Remote Similarity NPD5141 Approved
0.6881 Remote Similarity NPD4634 Approved
0.6875 Remote Similarity NPD5329 Approved
0.6875 Remote Similarity NPD6868 Approved
0.6852 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6848 Remote Similarity NPD3671 Phase 1
0.6848 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6822 Remote Similarity NPD4767 Approved
0.6822 Remote Similarity NPD4768 Approved
0.6814 Remote Similarity NPD6009 Approved
0.6813 Remote Similarity NPD6933 Approved
0.6813 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6804 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6804 Remote Similarity NPD6098 Approved
0.68 Remote Similarity NPD5281 Approved
0.68 Remote Similarity NPD5284 Approved
0.6789 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6319 Approved
0.6771 Remote Similarity NPD4197 Approved
0.6768 Remote Similarity NPD6673 Approved
0.6768 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6768 Remote Similarity NPD6080 Approved
0.6768 Remote Similarity NPD6904 Approved
0.6765 Remote Similarity NPD5210 Approved
0.6765 Remote Similarity NPD4629 Approved
0.6754 Remote Similarity NPD6335 Approved
0.675 Remote Similarity NPD7319 Approved
0.6742 Remote Similarity NPD4758 Discontinued
0.6731 Remote Similarity NPD4225 Approved
0.6726 Remote Similarity NPD6274 Approved
0.6697 Remote Similarity NPD5168 Approved
0.6697 Remote Similarity NPD4730 Approved
0.6697 Remote Similarity NPD4729 Approved
0.6697 Remote Similarity NPD5128 Approved
0.6696 Remote Similarity NPD7516 Approved
0.6696 Remote Similarity NPD7100 Approved
0.6696 Remote Similarity NPD7101 Approved
0.6667 Remote Similarity NPD3617 Approved
0.6667 Remote Similarity NPD6008 Approved
0.6667 Remote Similarity NPD5364 Discontinued
0.6667 Remote Similarity NPD8418 Phase 2
0.6667 Remote Similarity NPD6317 Approved
0.6667 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7736 Approved
0.6634 Remote Similarity NPD6411 Approved
0.6633 Remote Similarity NPD4689 Approved
0.6633 Remote Similarity NPD4138 Approved
0.6633 Remote Similarity NPD4693 Phase 3
0.6633 Remote Similarity NPD4688 Approved
0.6633 Remote Similarity NPD4690 Approved
0.6633 Remote Similarity NPD5205 Approved
0.661 Remote Similarity NPD8328 Phase 3
0.661 Remote Similarity NPD7604 Phase 2
0.6609 Remote Similarity NPD6313 Approved
0.6609 Remote Similarity NPD7328 Approved
0.6609 Remote Similarity NPD7327 Approved
0.6609 Remote Similarity NPD6314 Approved
0.6593 Remote Similarity NPD6926 Approved
0.6593 Remote Similarity NPD6924 Approved
0.6581 Remote Similarity NPD6909 Approved
0.6581 Remote Similarity NPD5983 Phase 2
0.6581 Remote Similarity NPD6908 Approved
0.6577 Remote Similarity NPD5250 Approved
0.6577 Remote Similarity NPD5248 Approved
0.6577 Remote Similarity NPD5169 Approved
0.6577 Remote Similarity NPD5247 Approved
0.6577 Remote Similarity NPD5251 Approved
0.6577 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5249 Phase 3
0.6577 Remote Similarity NPD5135 Approved
0.6566 Remote Similarity NPD3573 Approved
0.6555 Remote Similarity NPD7492 Approved
0.6545 Remote Similarity NPD6686 Approved
0.6518 Remote Similarity NPD5127 Approved
0.6518 Remote Similarity NPD5215 Approved
0.6518 Remote Similarity NPD5217 Approved
0.6518 Remote Similarity NPD5216 Approved

Structure

External Identifiers

PubChem CID   12305768
ChEMBL   CHEMBL511805
ZINC  

Physicochemical Properties

Molecular Weight:  472.36
ALogP:  2.1268
MLogP:  4.32
XLogP:  8.595
# Rotatable Bonds:  11
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  34

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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