Natural Product: NPC157422

Natural Product ID:  NPC157422
Common Name:   Panaxatriol
IUPAC Name:   (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Synonyms:   Panaxatriol
Molecular Formula:   C30H52O4
Standard InCHIKey:  QFJUYMMIBFBOJY-XBDFBJNCSA-N
Standard InCHI:  InChI=1S/C30H52O4/c1-25(2)12-9-13-30(8,34-25)18-10-15-28(6)23(18)19(31)16-21-27(5)14-11-22(33)26(3,4)24(27)20(32)17-29(21,28)7/h18-24,31-33H,9-17H2,1-8H3/t18-,19+,20-,21+,22-,23-,24-,27+,28+,29+,30+/m0/s1
Canonical SMILES:  O[C@H]1C[C@]2(C)[C@@H]([C@@]3([C@@H]1C(C)(C)[C@@H](O)CC3)C)C[C@H]([C@H]1[C@@]2(C)CC[C@@H]1[C@@]1(C)CCCC(O1)(C)C)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
NPO210 Uvaria calamistrata Species Annonaceae Eukaryota UNPD*
NPO11642 Dacrydium cupressinum Species Podocarpaceae Eukaryota UNPD*
NPO10540 Passiflora incarnata Species Passifloraceae Eukaryota UNPD*
NPO14354 Artemisia cina Species Asteraceae Eukaryota UNPD*
NPO18805 Tripolium pannonicum Species Asteraceae Eukaryota UNPD*
NPO731 Panax schinseng Species Araliaceae Eukaryota UNPD*
NPO29141 Panax ginseng Species Araliaceae Eukaryota TM-MC*
NPO21891 Panax notoginseng Species Araliaceae Eukaryota TM-MC*
NPO22666 Haematococcus lacustris Species Haematococcaceae Eukaryota UNPD*
NPO13166 Nicotiana undulata Species Solanaceae Eukaryota UNPD*
NPO21854 Pterocladiella tenuis Species Gelidiaceae Eukaryota UNPD*
NPO12684 Trigonella grandiflora Species Fabaceae Eukaryota UNPD*
NPO12001 Saccharomyces pastori Species Saccharomycetaceae Eukaryota UNPD*
NPO5189 Glycine tomentella Species Fabaceae Eukaryota UNPD*
NPO11488 Alstonia muelleriana Species Apocynaceae Eukaryota UNPD*
NPO7998 Senecio paludaffinis Species Asteraceae Eukaryota UNPD*
NPO14255 Streptomyces flocculus Species Streptomycetaceae Bacteria UNPD*
NPO19635 Coreopsis nodosa Species Asteraceae Eukaryota UNPD*
NPO13568 Hypoxylon rubiginosum Species Xylariaceae Eukaryota UNPD*
NPO11248 Tachigalia paniculata NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT202 Individual Protein Protease Human immunodeficiency virus 1 IC50 > 209900 nM 19339186
NPT2 Others Unspecified IC50 > 209900 nM 19339186
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = 6.16 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = 8.34 % 23062825

  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 NPC157422 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 NPC100586
1.0 High Similarity NPC109457
0.9848 High Similarity NPC282454
0.9412 High Similarity NPC473279
0.9254 High Similarity NPC472741
0.9143 High Similarity NPC477508
0.913 High Similarity NPC470071
0.913 High Similarity NPC157777
0.913 High Similarity NPC187471
0.913 High Similarity NPC252182
0.913 High Similarity NPC131506
0.913 High Similarity NPC1340
0.913 High Similarity NPC127094
0.9118 High Similarity NPC66407
0.9104 High Similarity NPC48079
0.8986 High Similarity NPC192192
0.8955 High Similarity NPC142712
0.8857 High Similarity NPC195530
0.8841 High Similarity NPC129829
0.8841 High Similarity NPC254037
0.8841 High Similarity NPC107919
0.8788 High Similarity NPC114891
0.8767 High Similarity NPC64081
0.8767 High Similarity NPC474574
0.8714 High Similarity NPC231945
0.8714 High Similarity NPC251201
0.8714 High Similarity NPC232925
0.8714 High Similarity NPC63588
0.8676 High Similarity NPC44122
0.8636 High Similarity NPC71460
0.8636 High Similarity NPC218585
0.8636 High Similarity NPC148174
0.8611 High Similarity NPC304499
0.8592 High Similarity NPC478103
0.8592 High Similarity NPC8004
0.8592 High Similarity NPC127283
0.8571 High Similarity NPC299948
0.8571 High Similarity NPC470830
0.8571 High Similarity NPC477820
0.8571 High Similarity NPC241085
0.8553 High Similarity NPC73515
0.8551 High Similarity NPC473230
0.8551 High Similarity NPC475884
0.8533 High Similarity NPC220379
0.8533 High Similarity NPC477282
0.8533 High Similarity NPC81074
0.8529 High Similarity NPC473276
0.8529 High Similarity NPC41577
0.8529 High Similarity NPC474380
0.8514 High Similarity NPC133596
0.8514 High Similarity NPC476233
0.8514 High Similarity NPC11907
0.8493 Intermediate Similarity NPC158208
0.8493 Intermediate Similarity NPC243027
0.8493 Intermediate Similarity NPC317242
0.8493 Intermediate Similarity NPC196136
0.8493 Intermediate Similarity NPC91387
0.8493 Intermediate Similarity NPC231680
0.8493 Intermediate Similarity NPC270306
0.8472 Intermediate Similarity NPC470610
0.8472 Intermediate Similarity NPC153719
0.8472 Intermediate Similarity NPC253805
0.8472 Intermediate Similarity NPC473238
0.8472 Intermediate Similarity NPC472341
0.8442 Intermediate Similarity NPC296734
0.84 Intermediate Similarity NPC471769
0.84 Intermediate Similarity NPC471045
0.8382 Intermediate Similarity NPC167995
0.8382 Intermediate Similarity NPC159654
0.8382 Intermediate Similarity NPC281540
0.8382 Intermediate Similarity NPC69149
0.8382 Intermediate Similarity NPC118937
0.8378 Intermediate Similarity NPC470145
0.8378 Intermediate Similarity NPC163597
0.8356 Intermediate Similarity NPC228994
0.8356 Intermediate Similarity NPC192501
0.8356 Intermediate Similarity NPC10476
0.8356 Intermediate Similarity NPC48795
0.8354 Intermediate Similarity NPC290612
0.831 Intermediate Similarity NPC99264
0.8289 Intermediate Similarity NPC476176
0.8286 Intermediate Similarity NPC63190
0.8267 Intermediate Similarity NPC477227
0.8267 Intermediate Similarity NPC185915
0.8267 Intermediate Similarity NPC105208
0.8267 Intermediate Similarity NPC192046
0.8267 Intermediate Similarity NPC302578
0.8267 Intermediate Similarity NPC128951
0.8267 Intermediate Similarity NPC212453
0.8261 Intermediate Similarity NPC260116
0.8261 Intermediate Similarity NPC472946
0.8261 Intermediate Similarity NPC80463
0.8243 Intermediate Similarity NPC3403
0.8205 Intermediate Similarity NPC202688
0.8205 Intermediate Similarity NPC475388
0.8205 Intermediate Similarity NPC154043
0.8205 Intermediate Similarity NPC60018
0.8182 Intermediate Similarity NPC476735
0.8182 Intermediate Similarity NPC248944
0.8182 Intermediate Similarity NPC7479
0.8182 Intermediate Similarity NPC16449
0.8182 Intermediate Similarity NPC257296
0.8158 Intermediate Similarity NPC18857
0.8158 Intermediate Similarity NPC147993
0.8158 Intermediate Similarity NPC301707
0.8158 Intermediate Similarity NPC67657
0.8148 Intermediate Similarity NPC140446
0.8148 Intermediate Similarity NPC43912
0.8133 Intermediate Similarity NPC14112
0.8133 Intermediate Similarity NPC86305
0.8125 Intermediate Similarity NPC232044
0.8125 Intermediate Similarity NPC273290
0.8108 Intermediate Similarity NPC478130
0.8108 Intermediate Similarity NPC475458
0.8101 Intermediate Similarity NPC111582
0.8101 Intermediate Similarity NPC477285
0.8101 Intermediate Similarity NPC470070
0.8056 Intermediate Similarity NPC470833
0.8052 Intermediate Similarity NPC287452
0.803 Intermediate Similarity NPC236588
0.803 Intermediate Similarity NPC135438
0.8028 Intermediate Similarity NPC476928
0.8026 Intermediate Similarity NPC23884
0.8026 Intermediate Similarity NPC171658
0.8026 Intermediate Similarity NPC207010
0.8026 Intermediate Similarity NPC475031
0.8026 Intermediate Similarity NPC317913
0.8025 Intermediate Similarity NPC471240
0.8 Intermediate Similarity NPC243469
0.8 Intermediate Similarity NPC174964
0.8 Intermediate Similarity NPC97534
0.8 Intermediate Similarity NPC227260
0.8 Intermediate Similarity NPC190827
0.8 Intermediate Similarity NPC178383
0.8 Intermediate Similarity NPC212879
0.8 Intermediate Similarity NPC231256
0.8 Intermediate Similarity NPC195155
0.8 Intermediate Similarity NPC320824
0.8 Intermediate Similarity NPC475943
0.8 Intermediate Similarity NPC104387
0.8 Intermediate Similarity NPC240235
0.7975 Intermediate Similarity NPC470611
0.7975 Intermediate Similarity NPC286719
0.7975 Intermediate Similarity NPC289486
0.7975 Intermediate Similarity NPC61107
0.7975 Intermediate Similarity NPC477286
0.7973 Intermediate Similarity NPC232112
0.7971 Intermediate Similarity NPC292419
0.7971 Intermediate Similarity NPC290791
0.7952 Intermediate Similarity NPC131466
0.7952 Intermediate Similarity NPC82955
0.7949 Intermediate Similarity NPC322313
0.7949 Intermediate Similarity NPC236237
0.7949 Intermediate Similarity NPC261616
0.7949 Intermediate Similarity NPC102253
0.7922 Intermediate Similarity NPC42853
0.7917 Intermediate Similarity NPC475893
0.7917 Intermediate Similarity NPC474756
0.791 Intermediate Similarity NPC162685
0.7901 Intermediate Similarity NPC266651
0.7895 Intermediate Similarity NPC477602
0.7895 Intermediate Similarity NPC475742
0.7895 Intermediate Similarity NPC477601
0.7895 Intermediate Similarity NPC278091
0.7895 Intermediate Similarity NPC91573
0.7895 Intermediate Similarity NPC78067
0.7895 Intermediate Similarity NPC4209
0.7895 Intermediate Similarity NPC93662
0.7895 Intermediate Similarity NPC5767
0.7895 Intermediate Similarity NPC473916
0.7875 Intermediate Similarity NPC470929
0.7875 Intermediate Similarity NPC472744
0.7867 Intermediate Similarity NPC62657
0.7867 Intermediate Similarity NPC192638
0.7867 Intermediate Similarity NPC472944
0.7867 Intermediate Similarity NPC25511
0.7867 Intermediate Similarity NPC74639
0.7867 Intermediate Similarity NPC472945
0.7857 Intermediate Similarity NPC279329
0.7848 Intermediate Similarity NPC58631
0.7848 Intermediate Similarity NPC190940
0.7838 Intermediate Similarity NPC58057
0.7838 Intermediate Similarity NPC151018
0.7838 Intermediate Similarity NPC111234
0.7838 Intermediate Similarity NPC320549
0.7838 Intermediate Similarity NPC156277
0.7831 Intermediate Similarity NPC281004
0.7826 Intermediate Similarity NPC185547
0.7826 Intermediate Similarity NPC95804
0.7821 Intermediate Similarity NPC273410
0.7821 Intermediate Similarity NPC49599
0.7821 Intermediate Similarity NPC80891
0.7821 Intermediate Similarity NPC80530
0.7821 Intermediate Similarity NPC155924
0.7821 Intermediate Similarity NPC49627
0.7821 Intermediate Similarity NPC201276
0.7805 Intermediate Similarity NPC215968
0.7805 Intermediate Similarity NPC155531
0.7794 Intermediate Similarity NPC95958
0.7792 Intermediate Similarity NPC119355

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC157422 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
0.8841 High Similarity NPD4267 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD4787 Phase 1
0.8182 Intermediate Similarity NPD6928 Phase 2
0.8026 Intermediate Similarity NPD6116 Phase 1
0.7949 Intermediate Similarity NPD7525 Registered
0.7895 Intermediate Similarity NPD6117 Approved
0.7838 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD6114 Approved
0.7692 Intermediate Similarity NPD6697 Approved
0.7692 Intermediate Similarity NPD6115 Approved
0.7692 Intermediate Similarity NPD6118 Approved
0.7632 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD5360 Phase 3
0.7308 Intermediate Similarity NPD3703 Phase 2
0.7273 Intermediate Similarity NPD8171 Discontinued
0.7237 Intermediate Similarity NPD4244 Approved
0.7237 Intermediate Similarity NPD4245 Approved
0.7237 Intermediate Similarity NPD4789 Approved
0.7159 Intermediate Similarity NPD8034 Phase 2
0.7159 Intermediate Similarity NPD8035 Phase 2
0.7105 Intermediate Similarity NPD3698 Phase 2
0.7089 Intermediate Similarity NPD3702 Approved
0.7059 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.6951 Remote Similarity NPD7645 Phase 2
0.6923 Remote Similarity NPD7991 Discontinued
0.6923 Remote Similarity NPD4758 Discontinued
0.6892 Remote Similarity NPD371 Approved
0.6875 Remote Similarity NPD7339 Approved
0.6875 Remote Similarity NPD6942 Approved
0.6829 Remote Similarity NPD5364 Discontinued
0.6829 Remote Similarity NPD3671 Phase 1
0.6753 Remote Similarity NPD6705 Phase 1
0.6709 Remote Similarity NPD6081 Approved
0.6709 Remote Similarity NPD5777 Approved
0.6667 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6700 Approved
0.6667 Remote Similarity NPD4748 Discontinued
0.6593 Remote Similarity NPD6703 Approved
0.6593 Remote Similarity NPD6702 Approved
0.6585 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6552 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6543 Remote Similarity NPD1811 Approved
0.6543 Remote Similarity NPD1810 Approved
0.6543 Remote Similarity NPD6926 Approved
0.6543 Remote Similarity NPD6924 Approved
0.6531 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6515 Remote Similarity NPD385 Approved
0.6515 Remote Similarity NPD384 Approved
0.6494 Remote Similarity NPD4224 Phase 2
0.6465 Remote Similarity NPD6920 Discontinued
0.6437 Remote Similarity NPD4788 Approved
0.6437 Remote Similarity NPD6695 Phase 3
0.6404 Remote Similarity NPD8308 Discontinued
0.6386 Remote Similarity NPD6933 Approved
0.6374 Remote Similarity NPD5328 Approved
0.6364 Remote Similarity NPD4786 Approved
0.6354 Remote Similarity NPD7638 Approved
0.6344 Remote Similarity NPD4202 Approved
0.6344 Remote Similarity NPD6399 Phase 3
0.63 Remote Similarity NPD6402 Approved
0.63 Remote Similarity NPD7128 Approved
0.63 Remote Similarity NPD6675 Approved
0.63 Remote Similarity NPD5739 Approved
0.6296 Remote Similarity NPD4243 Approved
0.6289 Remote Similarity NPD7639 Approved
0.6289 Remote Similarity NPD7640 Approved
0.6279 Remote Similarity NPD7509 Discontinued
0.625 Remote Similarity NPD4755 Approved
0.625 Remote Similarity NPD7920 Phase 3
0.625 Remote Similarity NPD7919 Phase 3
0.6237 Remote Similarity NPD6079 Approved
0.6222 Remote Similarity NPD3618 Phase 1
0.6186 Remote Similarity NPD8088 Phase 1
0.6176 Remote Similarity NPD6881 Approved
0.6176 Remote Similarity NPD7320 Approved
0.6176 Remote Similarity NPD6899 Approved
0.6173 Remote Similarity NPD2686 Approved
0.6173 Remote Similarity NPD2687 Approved
0.6173 Remote Similarity NPD2254 Approved
0.6162 Remote Similarity NPD7632 Discontinued
0.6154 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7524 Approved
0.6154 Remote Similarity NPD7750 Discontinued
0.6145 Remote Similarity NPD4784 Approved
0.6145 Remote Similarity NPD4785 Approved
0.6136 Remote Similarity NPD3667 Approved
0.6122 Remote Similarity NPD4696 Approved
0.6122 Remote Similarity NPD5285 Approved
0.6122 Remote Similarity NPD4700 Approved
0.6122 Remote Similarity NPD5286 Approved
0.6122 Remote Similarity NPD8418 Phase 2
0.6117 Remote Similarity NPD6372 Approved
0.6117 Remote Similarity NPD6373 Approved
0.6111 Remote Similarity NPD7328 Approved
0.6111 Remote Similarity NPD7327 Approved
0.6105 Remote Similarity NPD7748 Approved
0.6098 Remote Similarity NPD7152 Approved
0.6098 Remote Similarity NPD7151 Approved
0.6098 Remote Similarity NPD7150 Approved
0.6092 Remote Similarity NPD6931 Approved
0.6092 Remote Similarity NPD6930 Phase 2
0.6082 Remote Similarity NPD7902 Approved
0.6078 Remote Similarity NPD5697 Approved
0.6078 Remote Similarity NPD7646 Clinical (unspecified phase)
0.6078 Remote Similarity NPD5701 Approved
0.6064 Remote Similarity NPD7515 Phase 2
0.6061 Remote Similarity NPD5223 Approved
0.6058 Remote Similarity NPD7290 Approved
0.6058 Remote Similarity NPD6883 Approved
0.6058 Remote Similarity NPD7102 Approved
0.6055 Remote Similarity NPD7516 Approved
0.6049 Remote Similarity NPD6923 Approved
0.6049 Remote Similarity NPD6922 Approved
0.6038 Remote Similarity NPD8133 Approved
0.6019 Remote Similarity NPD6415 Discontinued
0.6019 Remote Similarity NPD6011 Approved
0.6 Remote Similarity NPD5226 Approved
0.6 Remote Similarity NPD8294 Approved
0.6 Remote Similarity NPD6869 Approved
0.6 Remote Similarity NPD5211 Phase 2
0.6 Remote Similarity NPD8130 Phase 1
0.6 Remote Similarity NPD6650 Approved
0.6 Remote Similarity NPD4633 Approved
0.6 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6 Remote Similarity NPD5225 Approved
0.6 Remote Similarity NPD6649 Approved
0.6 Remote Similarity NPD6847 Approved
0.6 Remote Similarity NPD5224 Approved
0.6 Remote Similarity NPD6617 Approved
0.6 Remote Similarity NPD8377 Approved
0.5979 Remote Similarity NPD5221 Approved
0.5979 Remote Similarity NPD5222 Approved
0.5979 Remote Similarity NPD4697 Phase 3
0.5979 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5977 Remote Similarity NPD6929 Approved
0.5976 Remote Similarity NPD7143 Approved
0.5976 Remote Similarity NPD7144 Approved
0.5962 Remote Similarity NPD6013 Approved
0.5962 Remote Similarity NPD6012 Approved
0.5962 Remote Similarity NPD6014 Approved
0.5946 Remote Similarity NPD8033 Approved
0.5946 Remote Similarity NPD8296 Approved
0.5946 Remote Similarity NPD8380 Approved
0.5946 Remote Similarity NPD8379 Approved
0.5946 Remote Similarity NPD8335 Approved
0.5946 Remote Similarity NPD8378 Approved
0.5943 Remote Similarity NPD6882 Approved
0.5943 Remote Similarity NPD8297 Approved
0.5941 Remote Similarity NPD4754 Approved
0.5941 Remote Similarity NPD5175 Approved
0.5941 Remote Similarity NPD5174 Approved
0.593 Remote Similarity NPD6932 Approved
0.5926 Remote Similarity NPD6940 Discontinued
0.5918 Remote Similarity NPD6084 Phase 2
0.5918 Remote Similarity NPD5173 Approved
0.5918 Remote Similarity NPD6083 Phase 2
0.59 Remote Similarity NPD4159 Approved
0.5895 Remote Similarity NPD7087 Discontinued
0.5889 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5889 Remote Similarity NPD3669 Approved
0.5882 Remote Similarity NPD5275 Approved
0.5882 Remote Similarity NPD5141 Approved
0.5882 Remote Similarity NPD386 Approved
0.5882 Remote Similarity NPD388 Approved
0.5882 Remote Similarity NPD4190 Phase 3
0.5865 Remote Similarity NPD8174 Phase 2
0.5851 Remote Similarity NPD4753 Phase 2
0.5851 Remote Similarity NPD6051 Approved
0.5825 Remote Similarity NPD4768 Approved
0.5825 Remote Similarity NPD4767 Approved
0.5824 Remote Similarity NPD3133 Approved
0.5824 Remote Similarity NPD3666 Approved
0.5824 Remote Similarity NPD3665 Phase 1
0.5821 Remote Similarity NPD367 Approved
0.5795 Remote Similarity NPD4195 Approved
0.5795 Remote Similarity NPD6683 Phase 2
0.5783 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5773 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5773 Remote Similarity NPD7900 Approved
0.5769 Remote Similarity NPD6412 Phase 2
0.5761 Remote Similarity NPD6893 Approved
0.5747 Remote Similarity NPD6925 Approved
0.5747 Remote Similarity NPD5776 Phase 2
0.5745 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5739 Remote Similarity NPD7507 Approved
0.573 Remote Similarity NPD7514 Phase 3
0.5727 Remote Similarity NPD7115 Discovery
0.5714 Remote Similarity NPD4729 Approved
0.5714 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5714 Remote Similarity NPD5128 Approved
0.5714 Remote Similarity NPD4730 Approved
0.5699 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5682 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5682 Remote Similarity NPD7145 Approved
0.5676 Remote Similarity NPD6335 Approved

Structure

External Identifiers

PubChem CID   12313935
ChEMBL   CHEMBL487293
ZINC  

Physicochemical Properties

Molecular Weight:  476.39
ALogP:  0.8247
MLogP:  4.32
XLogP:  6.21
# Rotatable Bonds:  12
Polar Surface Area:  69.92
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  34

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs