Natural Product: NPC201273

Natural Product ID:  NPC201273
Common Name:   Certonardosterol I
IUPAC Name:   (3S,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(E,2R,5R,6R)-7-hydroxy-4,5,6-trimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15-tetrol
Synonyms:  
Molecular Formula:   C29H50O5
Standard InCHIKey:  KPNZIJDIWSLXBI-ZESZIVLYSA-N
Standard InCHI:  InChI=1S/C29H50O5/c1-16(19(4)18(3)15-30)11-17(2)21-13-23(32)26-28(21,6)10-8-25-27(5)9-7-20(31)12-22(27)24(33)14-29(25,26)34/h11,17-26,30-34H,7-10,12-15H2,1-6H3/b16-11+/t17-,18+,19+,20+,21-,22-,23-,24+,25-,26-,27+,28-,29+/m1/s1
Canonical SMILES:  OC[C@@H]([C@H](/C(=C/[C@H]([C@H]1C[C@H]([C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)C[C@@H]([C@@H]2[C@]1(C)CC[C@@H](C2)O)O)O)C)/C)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
NPO7293 Certonardoa semiregularis Species Ophidiasteridae Eukaryota PMID[12662097]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 25 ug/ml 19908853
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC = 25 ug/ml 10.1021/np960174n
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 25 ug/ml 7964800
NPT720 Organism Enterobacter aerogenes Enterobacter aerogenes MIC > 25 ug/ml 16989518
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC = 25 ug/ml 18271551
NPT1033 Organism Enterobacter cloacae Enterobacter cloacae MIC > 25 ug/ml 12088420
NPT1033 Organism Enterobacter cloacae Enterobacter cloacae MIC > 25 ug/ml DrugMatrix in vivo data: Biochemistry
NPT4997 Organism Klebsiella oxytoca Klebsiella oxytoca MIC > 25 ug/ml 10.1007/s00044-010-9467-2
NPT19 Organism Escherichia coli Escherichia coli MIC > 25 ug/ml 20000576
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 25 ug/ml 20000576
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC > 25 ug/ml 20000576
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 25 ug/ml 20000576
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 12.5 ug/ml 20371180
NPT146 Cell Line SK-OV-3 Homo sapiens ED50 = 8.8 ug/ml 22452518
NPT147 Cell Line SK-MEL-2 Homo sapiens ED50 = 5.3 ug/ml 22739090
NPT81 Cell Line A549 Homo sapiens ED50 = 5.1 ug/ml 22409666
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC > 25 ug/ml 11421741
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 25 ug/ml 9249968
NPT148 Cell Line HCT-15 Homo sapiens ED50 = 6.3 ug/ml 17665951
NPT574 Cell Line XF498 Homo sapiens ED50 = 7.3 ug/ml 17665951

  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 NPC201273 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
0.9753 High Similarity NPC6605
0.9625 High Similarity NPC110778
0.9405 High Similarity NPC109744
0.9383 High Similarity NPC232023
0.9383 High Similarity NPC477818
0.9383 High Similarity NPC141941
0.9383 High Similarity NPC193870
0.9294 High Similarity NPC475751
0.9294 High Similarity NPC473956
0.9277 High Similarity NPC24277
0.9268 High Similarity NPC127606
0.9268 High Similarity NPC124172
0.9268 High Similarity NPC475798
0.925 High Similarity NPC236237
0.925 High Similarity NPC322313
0.925 High Similarity NPC102253
0.9167 High Similarity NPC474657
0.9167 High Similarity NPC186145
0.9146 High Similarity NPC113978
0.9125 High Similarity NPC273410
0.9125 High Similarity NPC80530
0.9059 High Similarity NPC475664
0.9048 High Similarity NPC139724
0.9048 High Similarity NPC121981
0.9036 High Similarity NPC209802
0.9024 High Similarity NPC470614
0.9024 High Similarity NPC1272
0.9012 High Similarity NPC71535
0.9012 High Similarity NPC78545
0.9 High Similarity NPC477819
0.9 High Similarity NPC6978
0.9 High Similarity NPC285761
0.9 High Similarity NPC244385
0.9 High Similarity NPC31828
0.9 High Similarity NPC477817
0.9 High Similarity NPC167037
0.9 High Similarity NPC138621
0.8953 High Similarity NPC105495
0.8916 High Similarity NPC211135
0.8916 High Similarity NPC216420
0.8916 High Similarity NPC207013
0.8916 High Similarity NPC85095
0.8902 High Similarity NPC470383
0.8889 High Similarity NPC1319
0.8837 High Similarity NPC470542
0.8824 High Similarity NPC269058
0.8824 High Similarity NPC299068
0.8824 High Similarity NPC152808
0.8824 High Similarity NPC71520
0.8824 High Similarity NPC6391
0.8824 High Similarity NPC293287
0.881 High Similarity NPC255882
0.881 High Similarity NPC256567
0.8795 High Similarity NPC30166
0.878 High Similarity NPC13554
0.878 High Similarity NPC475679
0.878 High Similarity NPC26117
0.875 High Similarity NPC41554
0.875 High Similarity NPC237460
0.875 High Similarity NPC97404
0.8736 High Similarity NPC101886
0.8736 High Similarity NPC470361
0.8706 High Similarity NPC470360
0.8706 High Similarity NPC318390
0.869 High Similarity NPC470929
0.8681 High Similarity NPC477226
0.8659 High Similarity NPC472742
0.8659 High Similarity NPC116119
0.8659 High Similarity NPC472463
0.8659 High Similarity NPC475727
0.8659 High Similarity NPC24504
0.8659 High Similarity NPC476316
0.8659 High Similarity NPC80297
0.8652 High Similarity NPC98193
0.8636 High Similarity NPC80561
0.8636 High Similarity NPC329596
0.8636 High Similarity NPC11216
0.8636 High Similarity NPC204188
0.8636 High Similarity NPC291484
0.8636 High Similarity NPC3345
0.8625 High Similarity NPC3403
0.8621 High Similarity NPC212596
0.8621 High Similarity NPC475605
0.8621 High Similarity NPC4574
0.8621 High Similarity NPC2158
0.8605 High Similarity NPC261266
0.8588 High Similarity NPC86238
0.8588 High Similarity NPC474493
0.8571 High Similarity NPC248886
0.8571 High Similarity NPC218616
0.8571 High Similarity NPC296701
0.8554 High Similarity NPC47149
0.8539 High Similarity NPC210268
0.8539 High Similarity NPC275671
0.8537 High Similarity NPC477522
0.8537 High Similarity NPC85346
0.8537 High Similarity NPC472501
0.8537 High Similarity NPC472502
0.8537 High Similarity NPC475
0.8537 High Similarity NPC301707
0.8537 High Similarity NPC42853
0.8537 High Similarity NPC472499
0.8537 High Similarity NPC302041
0.8537 High Similarity NPC87604
0.8537 High Similarity NPC65897
0.8537 High Similarity NPC472500
0.8523 High Similarity NPC74258
0.8519 High Similarity NPC189883
0.8506 High Similarity NPC271967
0.8506 High Similarity NPC304083
0.8506 High Similarity NPC475313
0.85 High Similarity NPC308440
0.85 High Similarity NPC304499
0.85 High Similarity NPC472503
0.8488 Intermediate Similarity NPC474349
0.8488 Intermediate Similarity NPC474189
0.8452 Intermediate Similarity NPC157655
0.8452 Intermediate Similarity NPC242350
0.8434 Intermediate Similarity NPC49599
0.8434 Intermediate Similarity NPC49627
0.8427 Intermediate Similarity NPC470390
0.8427 Intermediate Similarity NPC270511
0.8427 Intermediate Similarity NPC245410
0.8427 Intermediate Similarity NPC14380
0.8427 Intermediate Similarity NPC192437
0.8415 Intermediate Similarity NPC202540
0.8415 Intermediate Similarity NPC138502
0.8415 Intermediate Similarity NPC155986
0.8415 Intermediate Similarity NPC260301
0.8415 Intermediate Similarity NPC198968
0.8415 Intermediate Similarity NPC318495
0.8415 Intermediate Similarity NPC214570
0.8415 Intermediate Similarity NPC307336
0.8409 Intermediate Similarity NPC193360
0.8409 Intermediate Similarity NPC474668
0.8409 Intermediate Similarity NPC67872
0.8409 Intermediate Similarity NPC133588
0.8404 Intermediate Similarity NPC474022
0.8395 Intermediate Similarity NPC103822
0.8395 Intermediate Similarity NPC471723
0.8395 Intermediate Similarity NPC141071
0.8395 Intermediate Similarity NPC257347
0.8391 Intermediate Similarity NPC94462
0.8372 Intermediate Similarity NPC478102
0.8372 Intermediate Similarity NPC205845
0.837 Intermediate Similarity NPC288970
0.837 Intermediate Similarity NPC304899
0.837 Intermediate Similarity NPC471903
0.837 Intermediate Similarity NPC253115
0.8353 Intermediate Similarity NPC20853
0.8353 Intermediate Similarity NPC101462
0.8353 Intermediate Similarity NPC201852
0.8352 Intermediate Similarity NPC111015
0.8352 Intermediate Similarity NPC65402
0.8352 Intermediate Similarity NPC127718
0.8333 Intermediate Similarity NPC236112
0.8315 Intermediate Similarity NPC138974
0.8313 Intermediate Similarity NPC148977
0.8313 Intermediate Similarity NPC275910
0.8313 Intermediate Similarity NPC477514
0.8313 Intermediate Similarity NPC312328
0.8295 Intermediate Similarity NPC477600
0.8295 Intermediate Similarity NPC470620
0.8293 Intermediate Similarity NPC240604
0.8293 Intermediate Similarity NPC321016
0.8293 Intermediate Similarity NPC63958
0.8293 Intermediate Similarity NPC129165
0.8293 Intermediate Similarity NPC321381
0.8293 Intermediate Similarity NPC202642
0.8293 Intermediate Similarity NPC78067
0.8293 Intermediate Similarity NPC107059
0.8293 Intermediate Similarity NPC38141
0.8293 Intermediate Similarity NPC96319
0.8293 Intermediate Similarity NPC300324
0.8293 Intermediate Similarity NPC46160
0.8293 Intermediate Similarity NPC278091
0.8293 Intermediate Similarity NPC134330
0.8293 Intermediate Similarity NPC73875
0.8293 Intermediate Similarity NPC86305
0.8293 Intermediate Similarity NPC91573
0.8293 Intermediate Similarity NPC93662
0.8293 Intermediate Similarity NPC14112
0.828 Intermediate Similarity NPC177818
0.828 Intermediate Similarity NPC476893
0.828 Intermediate Similarity NPC476021
0.828 Intermediate Similarity NPC474994
0.828 Intermediate Similarity NPC190554
0.828 Intermediate Similarity NPC476040
0.828 Intermediate Similarity NPC316604
0.8261 Intermediate Similarity NPC8774
0.8256 Intermediate Similarity NPC470558
0.8256 Intermediate Similarity NPC82623
0.8256 Intermediate Similarity NPC134481
0.825 Intermediate Similarity NPC111234
0.825 Intermediate Similarity NPC167706
0.8242 Intermediate Similarity NPC310013
0.8235 Intermediate Similarity NPC209620
0.8235 Intermediate Similarity NPC320525
0.8235 Intermediate Similarity NPC249423
0.8235 Intermediate Similarity NPC474531

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC201273 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
0.925 High Similarity NPD7525 Registered
0.8293 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD7339 Approved
0.8171 Intermediate Similarity NPD6942 Approved
0.8161 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD6930 Phase 2
0.8118 Intermediate Similarity NPD6931 Approved
0.809 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.8046 Intermediate Similarity NPD6695 Phase 3
0.8025 Intermediate Similarity NPD4243 Approved
0.8 Intermediate Similarity NPD7645 Phase 2
0.8 Intermediate Similarity NPD6929 Approved
0.7976 Intermediate Similarity NPD6932 Approved
0.7895 Intermediate Similarity NPD4755 Approved
0.7849 Intermediate Similarity NPD4202 Approved
0.7831 Intermediate Similarity NPD4784 Approved
0.7831 Intermediate Similarity NPD6926 Approved
0.7831 Intermediate Similarity NPD4785 Approved
0.7831 Intermediate Similarity NPD6924 Approved
0.7791 Intermediate Similarity NPD6683 Phase 2
0.7765 Intermediate Similarity NPD5776 Phase 2
0.7765 Intermediate Similarity NPD6925 Approved
0.7732 Intermediate Similarity NPD4700 Approved
0.7732 Intermediate Similarity NPD4696 Approved
0.7732 Intermediate Similarity NPD5285 Approved
0.7732 Intermediate Similarity NPD5286 Approved
0.7701 Intermediate Similarity NPD4748 Discontinued
0.7701 Intermediate Similarity NPD7514 Phase 3
0.7692 Intermediate Similarity NPD7750 Discontinued
0.7692 Intermediate Similarity NPD7524 Approved
0.7674 Intermediate Similarity NPD7145 Approved
0.7667 Intermediate Similarity NPD6893 Approved
0.7647 Intermediate Similarity NPD6933 Approved
0.7629 Intermediate Similarity NPD7638 Approved
0.7576 Intermediate Similarity NPD5225 Approved
0.7576 Intermediate Similarity NPD5226 Approved
0.7576 Intermediate Similarity NPD4633 Approved
0.7576 Intermediate Similarity NPD5211 Phase 2
0.7576 Intermediate Similarity NPD5224 Approved
0.7561 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD4786 Approved
0.7551 Intermediate Similarity NPD7639 Approved
0.7551 Intermediate Similarity NPD7640 Approved
0.7529 Intermediate Similarity NPD5275 Approved
0.7529 Intermediate Similarity NPD4190 Phase 3
0.7527 Intermediate Similarity NPD5328 Approved
0.7527 Intermediate Similarity NPD4753 Phase 2
0.7525 Intermediate Similarity NPD7128 Approved
0.7525 Intermediate Similarity NPD6402 Approved
0.7525 Intermediate Similarity NPD5739 Approved
0.7525 Intermediate Similarity NPD6675 Approved
0.75 Intermediate Similarity NPD7509 Discontinued
0.75 Intermediate Similarity NPD7332 Phase 2
0.75 Intermediate Similarity NPD5175 Approved
0.75 Intermediate Similarity NPD5174 Approved
0.7475 Intermediate Similarity NPD5223 Approved
0.7426 Intermediate Similarity NPD5141 Approved
0.7416 Intermediate Similarity NPD6902 Approved
0.7416 Intermediate Similarity NPD6898 Phase 1
0.7407 Intermediate Similarity NPD7328 Approved
0.7407 Intermediate Similarity NPD7327 Approved
0.7404 Intermediate Similarity NPD4634 Approved
0.7391 Intermediate Similarity NPD3618 Phase 1
0.7386 Intermediate Similarity NPD4195 Approved
0.7381 Intermediate Similarity NPD7151 Approved
0.7381 Intermediate Similarity NPD7150 Approved
0.7381 Intermediate Similarity NPD7152 Approved
0.7379 Intermediate Similarity NPD6899 Approved
0.7379 Intermediate Similarity NPD6881 Approved
0.7379 Intermediate Similarity NPD7320 Approved
0.7368 Intermediate Similarity NPD6079 Approved
0.7368 Intermediate Similarity NPD7087 Discontinued
0.7363 Intermediate Similarity NPD3665 Phase 1
0.7363 Intermediate Similarity NPD3666 Approved
0.7363 Intermediate Similarity NPD3133 Approved
0.7353 Intermediate Similarity NPD4768 Approved
0.7353 Intermediate Similarity NPD4767 Approved
0.7349 Intermediate Similarity NPD6923 Approved
0.7349 Intermediate Similarity NPD6922 Approved
0.7339 Intermediate Similarity NPD7516 Approved
0.7333 Intermediate Similarity NPD3667 Approved
0.7327 Intermediate Similarity NPD4754 Approved
0.7308 Intermediate Similarity NPD6373 Approved
0.7308 Intermediate Similarity NPD6372 Approved
0.7283 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD5697 Approved
0.7282 Intermediate Similarity NPD5701 Approved
0.7262 Intermediate Similarity NPD4787 Phase 1
0.7262 Intermediate Similarity NPD7144 Approved
0.7262 Intermediate Similarity NPD7143 Approved
0.7253 Intermediate Similarity NPD4788 Approved
0.7238 Intermediate Similarity NPD7102 Approved
0.7238 Intermediate Similarity NPD6883 Approved
0.7238 Intermediate Similarity NPD7290 Approved
0.7212 Intermediate Similarity NPD5128 Approved
0.7212 Intermediate Similarity NPD4730 Approved
0.7212 Intermediate Similarity NPD4729 Approved
0.7207 Intermediate Similarity NPD8380 Approved
0.7207 Intermediate Similarity NPD8335 Approved
0.7207 Intermediate Similarity NPD8379 Approved
0.7207 Intermediate Similarity NPD8378 Approved
0.7207 Intermediate Similarity NPD8296 Approved
0.7172 Intermediate Similarity NPD6084 Phase 2
0.7172 Intermediate Similarity NPD6083 Phase 2
0.717 Intermediate Similarity NPD6869 Approved
0.717 Intermediate Similarity NPD6617 Approved
0.717 Intermediate Similarity NPD6650 Approved
0.717 Intermediate Similarity NPD6649 Approved
0.717 Intermediate Similarity NPD8130 Phase 1
0.717 Intermediate Similarity NPD6847 Approved
0.7143 Intermediate Similarity NPD5210 Approved
0.7143 Intermediate Similarity NPD4629 Approved
0.7143 Intermediate Similarity NPD6014 Approved
0.7143 Intermediate Similarity NPD6013 Approved
0.7143 Intermediate Similarity NPD4223 Phase 3
0.7143 Intermediate Similarity NPD4221 Approved
0.7143 Intermediate Similarity NPD6012 Approved
0.7117 Intermediate Similarity NPD8294 Approved
0.7117 Intermediate Similarity NPD8377 Approved
0.7113 Intermediate Similarity NPD6399 Phase 3
0.7103 Intermediate Similarity NPD8297 Approved
0.7103 Intermediate Similarity NPD6882 Approved
0.7097 Intermediate Similarity NPD5329 Approved
0.7075 Intermediate Similarity NPD5251 Approved
0.7075 Intermediate Similarity NPD5250 Approved
0.7075 Intermediate Similarity NPD5248 Approved
0.7075 Intermediate Similarity NPD5249 Phase 3
0.7075 Intermediate Similarity NPD5247 Approved
0.7071 Intermediate Similarity NPD4697 Phase 3
0.7071 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD5222 Approved
0.7071 Intermediate Similarity NPD5221 Approved
0.7054 Intermediate Similarity NPD8033 Approved
0.7048 Intermediate Similarity NPD6011 Approved
0.7037 Intermediate Similarity NPD4632 Approved
0.701 Intermediate Similarity NPD8035 Phase 2
0.701 Intermediate Similarity NPD8034 Phase 2
0.701 Intermediate Similarity NPD7515 Phase 2
0.7009 Intermediate Similarity NPD5215 Approved
0.7009 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD5217 Approved
0.7009 Intermediate Similarity NPD5216 Approved
0.7 Intermediate Similarity NPD5173 Approved
0.6989 Remote Similarity NPD4197 Approved
0.6979 Remote Similarity NPD6051 Approved
0.6964 Remote Similarity NPD6059 Approved
0.6964 Remote Similarity NPD6054 Approved
0.6952 Remote Similarity NPD6412 Phase 2
0.6923 Remote Similarity NPD6928 Phase 2
0.6916 Remote Similarity NPD5169 Approved
0.6916 Remote Similarity NPD5135 Approved
0.6916 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7632 Discontinued
0.6889 Remote Similarity NPD6118 Approved
0.6889 Remote Similarity NPD6697 Approved
0.6889 Remote Similarity NPD6115 Approved
0.6889 Remote Similarity NPD6114 Approved
0.6889 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6008 Approved
0.6852 Remote Similarity NPD5127 Approved
0.6847 Remote Similarity NPD6009 Approved
0.6842 Remote Similarity NPD5205 Approved
0.6842 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4138 Approved
0.6842 Remote Similarity NPD4689 Approved
0.6842 Remote Similarity NPD4688 Approved
0.6842 Remote Similarity NPD4690 Approved
0.6842 Remote Similarity NPD4693 Phase 3
0.6842 Remote Similarity NPD6370 Approved
0.6837 Remote Similarity NPD7637 Suspended
0.6814 Remote Similarity NPD6319 Approved
0.681 Remote Similarity NPD7507 Approved
0.6809 Remote Similarity NPD3668 Phase 3
0.68 Remote Similarity NPD5695 Phase 3
0.6796 Remote Similarity NPD4159 Approved
0.678 Remote Similarity NPD7319 Approved
0.6778 Remote Similarity NPD6116 Phase 1
0.6765 Remote Similarity NPD5696 Approved
0.6757 Remote Similarity NPD6274 Approved
0.6754 Remote Similarity NPD6016 Approved
0.6754 Remote Similarity NPD6015 Approved
0.6754 Remote Similarity NPD7503 Approved
0.6735 Remote Similarity NPD7136 Phase 2
0.6726 Remote Similarity NPD7100 Approved
0.6726 Remote Similarity NPD7101 Approved
0.6724 Remote Similarity NPD7492 Approved
0.6701 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6701 Remote Similarity NPD4723 Approved
0.6701 Remote Similarity NPD4722 Approved
0.67 Remote Similarity NPD7748 Approved
0.6696 Remote Similarity NPD5988 Approved
0.6695 Remote Similarity NPD7736 Approved
0.6667 Remote Similarity NPD5690 Phase 2
0.6667 Remote Similarity NPD5280 Approved
0.6667 Remote Similarity NPD6616 Approved
0.6667 Remote Similarity NPD7521 Approved
0.6667 Remote Similarity NPD5167 Approved
0.6667 Remote Similarity NPD6117 Approved
0.6667 Remote Similarity NPD5284 Approved
0.6667 Remote Similarity NPD5279 Phase 3

Structure

External Identifiers

PubChem CID   21629552
ChEMBL   CHEMBL473875
ZINC  

Physicochemical Properties

Molecular Weight:  478.37
ALogP:  -0.417
MLogP:  4.1
XLogP:  4.562
# Rotatable Bonds:  16
Polar Surface Area:  101.15
# H-Bond Aceptor:  5
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  34

Download Data

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