Natural Product: NPC319692

Natural Product ID:  NPC319692
Common Name:   Sodium(E)-((1R,4As,4Bs,8As,10As)-1-(2-((R)-5-Methoxy-2-Oxo-2,5-Dihydrofuran-3-Yl)Ethyl)-4B,8,8,10A-Tetramethyldecahydrophenanthren-2(1H,3H,4Bh)-Ylidene)Methyl Sulfate
IUPAC Name:   sodium;[(E)-[(1R,4aR,4bS,8aS,10aS)-1-[2-[(2R)-2-methoxy-5-oxo-2H-furan-4-yl]ethyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ylidene]methyl] sulfate
Synonyms:  
Molecular Formula:   C26H40O7S.Na
Standard InCHIKey:  AANADYPLGVVCHK-WAHTZHGESA-M
Standard InCHI:  InChI=1S/C26H40O7S.Na/c1-24(2)12-6-13-26(4)20(24)11-14-25(3)19(9-7-17-15-22(31-5)33-23(17)27)18(8-10-21(25)26)16-32-34(28,29)30;/h15-16,19-22H,6-14H2,1-5H3,(H,28,29,30);/q;+1/p-1/b18-16+;/t19-,20-,21-,22+,25+,26-;/m0./s1
Canonical SMILES:  CO[C@@H]1OC(=O)C(=C1)CC[C@H]1/C(=C/OS(=O)(=O)[O-])/CC[C@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CCCC1(C)C.[Na+]
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
NPO30318 Coscinoderma Genus Spongiidae Eukaryota PMID[21827183]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens LC50 = 45000 nM 21827183
NPT1821 Individual Protein Sortase Staphylococcus aureus IC50 > 200000 nM 21827183
NPT1087 Individual Protein Isocitrate lyase Candida albicans IC50 = 165000 nM 21827183
NPT2890 Protein Complex Sodium/potassium-transporting ATPase Homo sapiens IC50 = 17000 nM 21827183
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100 ug/ml 21827183
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 100 ug/ml 21827183
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 100 ug/ml 21827183
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC > 100 ug/ml 21827183
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC > 100 ug/ml 21827183
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 21827183
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC > 100 ug/ml 21827183
NPT329 Organism Trichophyton rubrum Trichophyton rubrum MIC > 100 ug/ml 21827183
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC > 100 ug/ml 21827183
NPT20 Organism Candida albicans Candida albicans MIC > 100 ug/ml 21827183

  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 NPC319692 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 NPC325960
0.8842 High Similarity NPC257726
0.8842 High Similarity NPC204054
0.8764 High Similarity NPC318515
0.8723 High Similarity NPC324078
0.8652 High Similarity NPC324243
0.8556 High Similarity NPC71626
0.8539 High Similarity NPC200513
0.8511 High Similarity NPC65513
0.8511 High Similarity NPC477783
0.8495 Intermediate Similarity NPC251528
0.8485 Intermediate Similarity NPC134077
0.8469 Intermediate Similarity NPC477720
0.8454 Intermediate Similarity NPC476768
0.8444 Intermediate Similarity NPC472440
0.8404 Intermediate Similarity NPC477782
0.8384 Intermediate Similarity NPC63249
0.8317 Intermediate Similarity NPC476764
0.8317 Intermediate Similarity NPC476763
0.8298 Intermediate Similarity NPC174342
0.8261 Intermediate Similarity NPC65661
0.8261 Intermediate Similarity NPC189311
0.8261 Intermediate Similarity NPC472442
0.8235 Intermediate Similarity NPC127790
0.8235 Intermediate Similarity NPC476760
0.8235 Intermediate Similarity NPC476762
0.8235 Intermediate Similarity NPC476761
0.8229 Intermediate Similarity NPC472303
0.8211 Intermediate Similarity NPC159748
0.8211 Intermediate Similarity NPC101651
0.8191 Intermediate Similarity NPC472302
0.8163 Intermediate Similarity NPC112654
0.8144 Intermediate Similarity NPC477722
0.8125 Intermediate Similarity NPC179517
0.8125 Intermediate Similarity NPC289479
0.8125 Intermediate Similarity NPC477122
0.8125 Intermediate Similarity NPC165904
0.8119 Intermediate Similarity NPC476769
0.8081 Intermediate Similarity NPC475709
0.8065 Intermediate Similarity NPC86316
0.8065 Intermediate Similarity NPC106416
0.8043 Intermediate Similarity NPC477124
0.8039 Intermediate Similarity NPC476770
0.8021 Intermediate Similarity NPC8062
0.8 Intermediate Similarity NPC476759
0.8 Intermediate Similarity NPC226863
0.8 Intermediate Similarity NPC112457
0.7959 Intermediate Similarity NPC84893
0.7921 Intermediate Similarity NPC476767
0.7917 Intermediate Similarity NPC5509
0.7905 Intermediate Similarity NPC392
0.7905 Intermediate Similarity NPC61411
0.7905 Intermediate Similarity NPC219900
0.7905 Intermediate Similarity NPC177524
0.7895 Intermediate Similarity NPC477228
0.7895 Intermediate Similarity NPC288952
0.7879 Intermediate Similarity NPC33473
0.7872 Intermediate Similarity NPC474013
0.7857 Intermediate Similarity NPC277721
0.7857 Intermediate Similarity NPC267266
0.7857 Intermediate Similarity NPC166346
0.7849 Intermediate Similarity NPC22611
0.7849 Intermediate Similarity NPC469
0.7843 Intermediate Similarity NPC471075
0.7835 Intermediate Similarity NPC51486
0.7826 Intermediate Similarity NPC14203
0.7826 Intermediate Similarity NPC40228
0.7826 Intermediate Similarity NPC229584
0.7812 Intermediate Similarity NPC196407
0.78 Intermediate Similarity NPC470801
0.78 Intermediate Similarity NPC164750
0.7789 Intermediate Similarity NPC474062
0.7789 Intermediate Similarity NPC118266
0.7778 Intermediate Similarity NPC474554
0.7778 Intermediate Similarity NPC316500
0.7778 Intermediate Similarity NPC469697
0.7766 Intermediate Similarity NPC149869
0.7757 Intermediate Similarity NPC476766
0.7755 Intermediate Similarity NPC329842
0.7755 Intermediate Similarity NPC141831
0.7745 Intermediate Similarity NPC201406
0.7745 Intermediate Similarity NPC477721
0.7745 Intermediate Similarity NPC477716
0.7742 Intermediate Similarity NPC142683
0.7736 Intermediate Similarity NPC476765
0.7732 Intermediate Similarity NPC50070
0.7732 Intermediate Similarity NPC293044
0.7732 Intermediate Similarity NPC285982
0.7723 Intermediate Similarity NPC476253
0.7723 Intermediate Similarity NPC477718
0.7723 Intermediate Similarity NPC477719
0.7706 Intermediate Similarity NPC157441
0.77 Intermediate Similarity NPC473369
0.77 Intermediate Similarity NPC293052
0.7692 Intermediate Similarity NPC132395
0.7692 Intermediate Similarity NPC471364
0.7692 Intermediate Similarity NPC112009
0.7692 Intermediate Similarity NPC180204
0.7692 Intermediate Similarity NPC471365
0.7684 Intermediate Similarity NPC473251
0.7684 Intermediate Similarity NPC2709
0.7684 Intermediate Similarity NPC30984
0.7684 Intermediate Similarity NPC42586
0.7677 Intermediate Similarity NPC151722
0.7677 Intermediate Similarity NPC139692
0.7677 Intermediate Similarity NPC470656
0.7677 Intermediate Similarity NPC475657
0.767 Intermediate Similarity NPC477717
0.767 Intermediate Similarity NPC194028
0.767 Intermediate Similarity NPC168319
0.766 Intermediate Similarity NPC193198
0.7653 Intermediate Similarity NPC220454
0.7653 Intermediate Similarity NPC281942
0.7653 Intermediate Similarity NPC212679
0.7653 Intermediate Similarity NPC469595
0.7653 Intermediate Similarity NPC232426
0.7647 Intermediate Similarity NPC473154
0.7647 Intermediate Similarity NPC98868
0.7629 Intermediate Similarity NPC472809
0.7629 Intermediate Similarity NPC472810
0.7624 Intermediate Similarity NPC29952
0.7624 Intermediate Similarity NPC162346
0.7624 Intermediate Similarity NPC311166
0.7624 Intermediate Similarity NPC240673
0.7624 Intermediate Similarity NPC17578
0.7615 Intermediate Similarity NPC12046
0.7615 Intermediate Similarity NPC194951
0.7604 Intermediate Similarity NPC220478
0.76 Intermediate Similarity NPC104925
0.76 Intermediate Similarity NPC476415
0.76 Intermediate Similarity NPC298973
0.7579 Intermediate Similarity NPC30486
0.7579 Intermediate Similarity NPC248758
0.7579 Intermediate Similarity NPC475100
0.7576 Intermediate Similarity NPC470113
0.7576 Intermediate Similarity NPC472814
0.7576 Intermediate Similarity NPC177037
0.7573 Intermediate Similarity NPC471413
0.7573 Intermediate Similarity NPC117685
0.7553 Intermediate Similarity NPC186276
0.7551 Intermediate Similarity NPC177141
0.7551 Intermediate Similarity NPC168131
0.7551 Intermediate Similarity NPC470734
0.7551 Intermediate Similarity NPC284561
0.7549 Intermediate Similarity NPC76266
0.7549 Intermediate Similarity NPC38530
0.7549 Intermediate Similarity NPC84335
0.7527 Intermediate Similarity NPC195424
0.7526 Intermediate Similarity NPC475678
0.7525 Intermediate Similarity NPC295347
0.7525 Intermediate Similarity NPC209355
0.7524 Intermediate Similarity NPC254202
0.75 Intermediate Similarity NPC472871
0.75 Intermediate Similarity NPC469939
0.75 Intermediate Similarity NPC310981
0.75 Intermediate Similarity NPC169343
0.75 Intermediate Similarity NPC474483
0.75 Intermediate Similarity NPC115021
0.75 Intermediate Similarity NPC471412
0.75 Intermediate Similarity NPC474185
0.75 Intermediate Similarity NPC471571
0.7476 Intermediate Similarity NPC474440
0.7475 Intermediate Similarity NPC198818
0.7475 Intermediate Similarity NPC471818
0.7475 Intermediate Similarity NPC476369
0.7475 Intermediate Similarity NPC476437
0.7474 Intermediate Similarity NPC170862
0.7456 Intermediate Similarity NPC470312
0.7453 Intermediate Similarity NPC189616
0.7451 Intermediate Similarity NPC242848
0.7451 Intermediate Similarity NPC8954
0.7451 Intermediate Similarity NPC94905
0.7451 Intermediate Similarity NPC234993
0.7451 Intermediate Similarity NPC134072
0.7451 Intermediate Similarity NPC73858
0.7449 Intermediate Similarity NPC474629
0.7449 Intermediate Similarity NPC472870
0.7449 Intermediate Similarity NPC144069
0.7447 Intermediate Similarity NPC149237
0.7447 Intermediate Similarity NPC282293
0.7429 Intermediate Similarity NPC40918
0.7429 Intermediate Similarity NPC162973
0.7426 Intermediate Similarity NPC477130
0.7426 Intermediate Similarity NPC477129
0.7426 Intermediate Similarity NPC475572
0.7426 Intermediate Similarity NPC88507
0.7426 Intermediate Similarity NPC474555
0.7423 Intermediate Similarity NPC195640
0.7423 Intermediate Similarity NPC244174
0.7419 Intermediate Similarity NPC471475
0.7411 Intermediate Similarity NPC471816
0.7407 Intermediate Similarity NPC473483
0.7407 Intermediate Similarity NPC325054
0.7407 Intermediate Similarity NPC300614
0.7407 Intermediate Similarity NPC90946
0.7404 Intermediate Similarity NPC473219
0.7404 Intermediate Similarity NPC470761
0.7404 Intermediate Similarity NPC54705
0.7404 Intermediate Similarity NPC474012
0.7404 Intermediate Similarity NPC476299

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC319692 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
0.8539 High Similarity NPD4752 Clinical (unspecified phase)
0.7905 Intermediate Similarity NPD6686 Approved
0.7449 Intermediate Similarity NPD5737 Approved
0.7449 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7449 Intermediate Similarity NPD6672 Approved
0.7423 Intermediate Similarity NPD7334 Approved
0.7423 Intermediate Similarity NPD7146 Approved
0.7423 Intermediate Similarity NPD5330 Approved
0.7423 Intermediate Similarity NPD7521 Approved
0.7423 Intermediate Similarity NPD6409 Approved
0.7423 Intermediate Similarity NPD6684 Approved
0.7308 Intermediate Similarity NPD7638 Approved
0.7273 Intermediate Similarity NPD6903 Approved
0.7238 Intermediate Similarity NPD7640 Approved
0.7238 Intermediate Similarity NPD7639 Approved
0.7228 Intermediate Similarity NPD5693 Phase 1
0.7143 Intermediate Similarity NPD1694 Approved
0.7087 Intermediate Similarity NPD7748 Approved
0.7087 Intermediate Similarity NPD7900 Approved
0.7087 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD6904 Approved
0.703 Intermediate Similarity NPD6673 Approved
0.703 Intermediate Similarity NPD6080 Approved
0.7 Intermediate Similarity NPD7507 Approved
0.6893 Remote Similarity NPD7515 Phase 2
0.6887 Remote Similarity NPD6083 Phase 2
0.6887 Remote Similarity NPD6084 Phase 2
0.6887 Remote Similarity NPD7902 Approved
0.6869 Remote Similarity NPD3668 Phase 3
0.6863 Remote Similarity NPD6051 Approved
0.6857 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6847 Remote Similarity NPD6412 Phase 2
0.6832 Remote Similarity NPD3573 Approved
0.6829 Remote Similarity NPD7319 Approved
0.6827 Remote Similarity NPD6399 Phase 3
0.6809 Remote Similarity NPD8039 Approved
0.6765 Remote Similarity NPD5208 Approved
0.6733 Remote Similarity NPD6098 Approved
0.6731 Remote Similarity NPD6050 Approved
0.67 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6699 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6698 Remote Similarity NPD5695 Phase 3
0.6696 Remote Similarity NPD6882 Approved
0.6695 Remote Similarity NPD7328 Approved
0.6695 Remote Similarity NPD7327 Approved
0.6667 Remote Similarity NPD5696 Approved
0.6667 Remote Similarity NPD4225 Approved
0.6639 Remote Similarity NPD7516 Approved
0.6636 Remote Similarity NPD7632 Discontinued
0.6636 Remote Similarity NPD7732 Phase 3
0.6635 Remote Similarity NPD5692 Phase 3
0.6633 Remote Similarity NPD4695 Discontinued
0.661 Remote Similarity NPD7115 Discovery
0.6583 Remote Similarity NPD8377 Approved
0.6583 Remote Similarity NPD8294 Approved
0.6571 Remote Similarity NPD5694 Approved
0.6549 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6535 Remote Similarity NPD3666 Approved
0.6535 Remote Similarity NPD3665 Phase 1
0.6535 Remote Similarity NPD3133 Approved
0.6529 Remote Similarity NPD8335 Approved
0.6529 Remote Similarity NPD8378 Approved
0.6529 Remote Similarity NPD7503 Approved
0.6529 Remote Similarity NPD8379 Approved
0.6529 Remote Similarity NPD8033 Approved
0.6529 Remote Similarity NPD8380 Approved
0.6529 Remote Similarity NPD8296 Approved
0.6496 Remote Similarity NPD8133 Approved
0.6491 Remote Similarity NPD6899 Approved
0.6491 Remote Similarity NPD6881 Approved
0.6476 Remote Similarity NPD5207 Approved
0.646 Remote Similarity NPD7128 Approved
0.646 Remote Similarity NPD6675 Approved
0.646 Remote Similarity NPD5739 Approved
0.646 Remote Similarity NPD6402 Approved
0.6449 Remote Similarity NPD6001 Approved
0.6436 Remote Similarity NPD4788 Approved
0.6435 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6052 Approved
0.6415 Remote Similarity NPD6079 Approved
0.6415 Remote Similarity NPD8034 Phase 2
0.6415 Remote Similarity NPD8035 Phase 2
0.6408 Remote Similarity NPD4519 Discontinued
0.6408 Remote Similarity NPD4623 Approved
0.6408 Remote Similarity NPD3618 Phase 1
0.6404 Remote Similarity NPD5697 Approved
0.6383 Remote Similarity NPD4691 Approved
0.6381 Remote Similarity NPD4753 Phase 2
0.6381 Remote Similarity NPD5328 Approved
0.6379 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6379 Remote Similarity NPD7102 Approved
0.6379 Remote Similarity NPD7290 Approved
0.6379 Remote Similarity NPD6883 Approved
0.6373 Remote Similarity NPD4786 Approved
0.6349 Remote Similarity NPD7736 Approved
0.6348 Remote Similarity NPD6011 Approved
0.6348 Remote Similarity NPD7320 Approved
0.6337 Remote Similarity NPD3667 Approved
0.6337 Remote Similarity NPD5209 Approved
0.6337 Remote Similarity NPD4221 Approved
0.6337 Remote Similarity NPD4223 Phase 3
0.633 Remote Similarity NPD7614 Phase 1
0.6325 Remote Similarity NPD6649 Approved
0.6325 Remote Similarity NPD6617 Approved
0.6325 Remote Similarity NPD8130 Phase 1
0.6325 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6869 Approved
0.6325 Remote Similarity NPD6847 Approved
0.6325 Remote Similarity NPD6650 Approved
0.6321 Remote Similarity NPD5785 Approved
0.6316 Remote Similarity NPD6008 Approved
0.6311 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6311 Remote Similarity NPD5329 Approved
0.6306 Remote Similarity NPD6404 Discontinued
0.6293 Remote Similarity NPD6014 Approved
0.6293 Remote Similarity NPD6012 Approved
0.6293 Remote Similarity NPD6013 Approved
0.6293 Remote Similarity NPD6372 Approved
0.6293 Remote Similarity NPD6373 Approved
0.629 Remote Similarity NPD8328 Phase 3
0.6277 Remote Similarity NPD4137 Phase 3
0.6271 Remote Similarity NPD6053 Discontinued
0.6271 Remote Similarity NPD8297 Approved
0.6263 Remote Similarity NPD3617 Approved
0.6262 Remote Similarity NPD5281 Approved
0.6262 Remote Similarity NPD5284 Approved
0.6261 Remote Similarity NPD6614 Approved
0.6261 Remote Similarity NPD5701 Approved
0.625 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6239 Remote Similarity NPD5654 Approved
0.6239 Remote Similarity NPD5210 Approved
0.6239 Remote Similarity NPD4629 Approved
0.6214 Remote Similarity NPD4197 Approved
0.6211 Remote Similarity NPD4747 Approved
0.621 Remote Similarity NPD6370 Approved
0.6198 Remote Similarity NPD6009 Approved
0.6186 Remote Similarity NPD4058 Approved
0.6182 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6182 Remote Similarity NPD5221 Approved
0.6182 Remote Similarity NPD5222 Approved
0.616 Remote Similarity NPD6067 Discontinued
0.6154 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6146 Remote Similarity NPD5777 Approved
0.6142 Remote Similarity NPD8293 Discontinued
0.6126 Remote Similarity NPD5173 Approved
0.6126 Remote Similarity NPD5959 Approved
0.6124 Remote Similarity NPD6914 Discontinued
0.6116 Remote Similarity NPD6868 Approved
0.6111 Remote Similarity NPD6411 Approved
0.6111 Remote Similarity NPD7492 Approved
0.6107 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6095 Remote Similarity NPD4690 Approved
0.6095 Remote Similarity NPD4693 Phase 3
0.6095 Remote Similarity NPD5279 Phase 3
0.6095 Remote Similarity NPD4688 Approved
0.6095 Remote Similarity NPD4138 Approved
0.6095 Remote Similarity NPD5690 Phase 2
0.6095 Remote Similarity NPD5205 Approved
0.6095 Remote Similarity NPD4689 Approved
0.6091 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6083 Remote Similarity NPD6858 Approved
0.6083 Remote Similarity NPD7094 Approved
0.6066 Remote Similarity NPD6317 Approved
0.6063 Remote Similarity NPD6616 Approved
0.6055 Remote Similarity NPD4202 Approved
0.6053 Remote Similarity NPD5211 Phase 2
0.6048 Remote Similarity NPD6054 Approved
0.6036 Remote Similarity NPD4697 Phase 3
0.6036 Remote Similarity NPD5349 Clinical (unspecified phase)
0.602 Remote Similarity NPD5733 Approved
0.6019 Remote Similarity NPD46 Approved
0.6019 Remote Similarity NPD6698 Approved
0.6018 Remote Similarity NPD5285 Approved
0.6018 Remote Similarity NPD5286 Approved
0.6018 Remote Similarity NPD4696 Approved
0.6016 Remote Similarity NPD6335 Approved
0.6016 Remote Similarity NPD7078 Approved
0.5984 Remote Similarity NPD6274 Approved
0.5982 Remote Similarity NPD4755 Approved
0.5968 Remote Similarity NPD7100 Approved
0.5968 Remote Similarity NPD7101 Approved
0.5965 Remote Similarity NPD5223 Approved
0.5963 Remote Similarity NPD7637 Suspended
0.5962 Remote Similarity NPD7154 Phase 3
0.595 Remote Similarity NPD4632 Approved
0.5948 Remote Similarity NPD5141 Approved
0.5943 Remote Similarity NPD5280 Approved
0.5943 Remote Similarity NPD4694 Approved
0.5941 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5935 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5929 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5926 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6101 Approved
0.592 Remote Similarity NPD6059 Approved
0.5914 Remote Similarity NPD5325 Clinical (unspecified phase)
0.5913 Remote Similarity NPD5226 Approved
0.5913 Remote Similarity NPD4633 Approved
0.5913 Remote Similarity NPD5224 Approved
0.5913 Remote Similarity NPD5225 Approved
0.5909 Remote Similarity NPD5778 Approved

Structure

External Identifiers

PubChem CID   53494117
ChEMBL   CHEMBL1818103
ZINC  

Physicochemical Properties

Molecular Weight:  495.24
ALogP:  0.6825
MLogP:  3.44
XLogP:  6.53
# Rotatable Bonds:  12
Polar Surface Area:  110.34
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  34

Download Data

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