Natural Product: NPC170394

Natural Product ID:  NPC170394
Common Name:   8Beta-Hydroxyabieta-9(11),13-Dien-12-One
IUPAC Name:   (4bS,8aS,10aR)-10a-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-one
Synonyms:  
Molecular Formula:   C20H30O2
Standard InCHIKey:  DWDOXTINEVOYSV-FFZOFVMBSA-N
Standard InCHI:  InChI=1S/C20H30O2/c1-13(2)14-12-20(22)10-7-16-18(3,4)8-6-9-19(16,5)17(20)11-15(14)21/h11-13,16,22H,6-10H2,1-5H3/t16-,19-,20+/m0/s1
Canonical SMILES:  CC(C1=C[C@]2(O)CC[C@@H]3[C@](C2=CC1=O)(C)CCCC3(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
NPO1257 Distephanus angulifolius Species Asteraceae Eukaryota UNPD*
NPO865 Dendrobium loddigesii Species Orchidaceae Eukaryota UNPD*
NPO526 Salvia sessei Species Lamiaceae Eukaryota UNPD*
NPO13135 Campylotropis hirtella Species Fabaceae Eukaryota UNPD*
NPO23384 Rhodiola semenovii Species Crassulaceae Eukaryota UNPD*
NPO9704 Sonneratia caseolaris Species Lythraceae Eukaryota UNPD*
NPO10605 Tristania conferta Species Myrtaceae Eukaryota UNPD*
NPO3873 Crotalaria candicans Species Fabaceae Eukaryota UNPD*
NPO6289 Ceropegia dichotoma Species Apocynaceae Eukaryota UNPD*
NPO7773 Crinum moorei Species Amaryllidaceae Eukaryota UNPD*
NPO9319 Pterocaulon virgatum Species Asteraceae Eukaryota UNPD*
NPO12091 Martensia denticulata Species Delesseriaceae Eukaryota UNPD*
NPO11190 Veronica polita Species Plantaginaceae Eukaryota UNPD*
NPO12205 Eucalyptus apodophylla Species Myrtaceae Eukaryota UNPD*
NPO5043 Eria japonica Species Orchidaceae Eukaryota UNPD*
NPO21720 Talaromyces variabilis Species Trichocomaceae Eukaryota UNPD*
NPO10922 Pentaclethra macrophylla Species Fabaceae Eukaryota UNPD*
NPO22691 Mentha cardiaca Species Lamiaceae Eukaryota UNPD*
NPO10638 Plectranthus myrianthus Species Lamiaceae Eukaryota UNPD*
NPO20067 Salvia pachyphylla Species Lamiaceae Eukaryota PMID[17190465]
NPO2794 Salvia clevelandii Species Lamiaceae Eukaryota PMID[17190465]
NPO7822.1 Eucalyptus globulus subsp. bicostata Subspecies Myrtaceae Eukaryota UNPD*
NPO9532 Vernonia cistifolia Species Asteraceae Eukaryota UNPD*
NPO12565 Hypericum polyanthemum Species Hypericaceae Eukaryota UNPD*
NPO6731 Ononis spinosa Species Fabaceae Eukaryota UNPD*
NPO11576 Glycosmis macrophylla Species Rutaceae Eukaryota UNPD*
NPO12796 Periploca sepium Species Apocynaceae Eukaryota UNPD*
NPO1815 Breonia chinensis Species Rubiaceae Eukaryota UNPD*
NPO5456 Juniperus drupacea Species Cupressaceae Eukaryota UNPD*
NPO8934 Gypsophila perfoliata Species Caryophyllaceae Eukaryota UNPD*
NPO11843 Stephania zippeliana Species Menispermaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1515 Organism SARS coronavirus SARS coronavirus EC50 = 1470 nM 17663539
NPT189 Cell Line Vero Chlorocebus aethiops CC50 > 750000 nM 17663539
NPT2 Others Unspecified Ratio CC50/EC50 > 510 17663539
NPT1515 Organism SARS coronavirus SARS coronavirus Inhibition < 25 % 17663539
NPT1515 Organism SARS coronavirus SARS coronavirus Inhibition = 50 % 17663539
NPT179 Cell Line A2780 Homo sapiens GI50 = 19000 nM 17190465
NPT1577 Cell Line SW1573 Homo sapiens GI50 = 29000 nM 17190465
NPT1183 Cell Line WiDr Homo sapiens GI50 = 83000 nM 17190465
NPT396 Cell Line T47D Homo sapiens GI50 = 82000 nM 17190465
NPT1723 Cell Line HBL-100 Homo sapiens GI50 = 26000 nM 17190465

  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 NPC170394 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
0.9091 High Similarity NPC476809
0.8947 High Similarity NPC257666
0.8947 High Similarity NPC266193
0.8902 High Similarity NPC48107
0.8816 High Similarity NPC472305
0.8734 High Similarity NPC473217
0.8642 High Similarity NPC476412
0.8625 High Similarity NPC92226
0.8608 High Similarity NPC469637
0.859 High Similarity NPC275494
0.859 High Similarity NPC471409
0.8571 High Similarity NPC472973
0.8554 High Similarity NPC471792
0.8553 High Similarity NPC22134
0.85 High Similarity NPC6663
0.8471 Intermediate Similarity NPC38952
0.8462 Intermediate Similarity NPC203403
0.8462 Intermediate Similarity NPC34110
0.8462 Intermediate Similarity NPC132542
0.8434 Intermediate Similarity NPC472985
0.8434 Intermediate Similarity NPC472986
0.8434 Intermediate Similarity NPC472974
0.8421 Intermediate Similarity NPC247586
0.8372 Intermediate Similarity NPC472978
0.8372 Intermediate Similarity NPC475806
0.8354 Intermediate Similarity NPC476808
0.8353 Intermediate Similarity NPC473999
0.8353 Intermediate Similarity NPC309603
0.8333 Intermediate Similarity NPC151622
0.8333 Intermediate Similarity NPC7629
0.8333 Intermediate Similarity NPC476409
0.8333 Intermediate Similarity NPC76966
0.8333 Intermediate Similarity NPC186554
0.8313 Intermediate Similarity NPC476426
0.8293 Intermediate Similarity NPC297398
0.8293 Intermediate Similarity NPC49019
0.8276 Intermediate Similarity NPC109305
0.8272 Intermediate Similarity NPC226068
0.8272 Intermediate Similarity NPC278459
0.825 Intermediate Similarity NPC308038
0.8235 Intermediate Similarity NPC72397
0.8235 Intermediate Similarity NPC471793
0.8235 Intermediate Similarity NPC471791
0.8228 Intermediate Similarity NPC97377
0.8228 Intermediate Similarity NPC165711
0.8214 Intermediate Similarity NPC472479
0.8193 Intermediate Similarity NPC472265
0.8193 Intermediate Similarity NPC251170
0.8182 Intermediate Similarity NPC472976
0.8182 Intermediate Similarity NPC472977
0.8182 Intermediate Similarity NPC8993
0.8171 Intermediate Similarity NPC93590
0.8171 Intermediate Similarity NPC193347
0.8171 Intermediate Similarity NPC2524
0.8161 Intermediate Similarity NPC472975
0.8161 Intermediate Similarity NPC473998
0.8148 Intermediate Similarity NPC108955
0.8148 Intermediate Similarity NPC2482
0.8148 Intermediate Similarity NPC472301
0.8148 Intermediate Similarity NPC471514
0.814 Intermediate Similarity NPC472240
0.814 Intermediate Similarity NPC262858
0.814 Intermediate Similarity NPC262043
0.814 Intermediate Similarity NPC472983
0.814 Intermediate Similarity NPC36668
0.814 Intermediate Similarity NPC118011
0.8125 Intermediate Similarity NPC189485
0.8125 Intermediate Similarity NPC198240
0.8125 Intermediate Similarity NPC62336
0.8125 Intermediate Similarity NPC207772
0.8118 Intermediate Similarity NPC136948
0.8111 Intermediate Similarity NPC170131
0.8101 Intermediate Similarity NPC470749
0.8101 Intermediate Similarity NPC263582
0.809 Intermediate Similarity NPC271195
0.8077 Intermediate Similarity NPC201048
0.8077 Intermediate Similarity NPC476366
0.8072 Intermediate Similarity NPC476927
0.8052 Intermediate Similarity NPC84790
0.8049 Intermediate Similarity NPC471898
0.8049 Intermediate Similarity NPC55869
0.8049 Intermediate Similarity NPC121984
0.8046 Intermediate Similarity NPC212369
0.8046 Intermediate Similarity NPC48010
0.8 Intermediate Similarity NPC470428
0.8 Intermediate Similarity NPC470758
0.8 Intermediate Similarity NPC470711
0.8 Intermediate Similarity NPC61952
0.8 Intermediate Similarity NPC472488
0.8 Intermediate Similarity NPC194417
0.8 Intermediate Similarity NPC472869
0.7978 Intermediate Similarity NPC119562
0.7978 Intermediate Similarity NPC279410
0.7978 Intermediate Similarity NPC299100
0.7976 Intermediate Similarity NPC33913
0.7976 Intermediate Similarity NPC144258
0.7976 Intermediate Similarity NPC248758
0.7975 Intermediate Similarity NPC476795
0.7952 Intermediate Similarity NPC238991
0.7952 Intermediate Similarity NPC302661
0.7945 Intermediate Similarity NPC81615
0.7931 Intermediate Similarity NPC472475
0.7931 Intermediate Similarity NPC119416
0.7931 Intermediate Similarity NPC472676
0.7931 Intermediate Similarity NPC472688
0.7931 Intermediate Similarity NPC472477
0.7931 Intermediate Similarity NPC146554
0.7927 Intermediate Similarity NPC172013
0.7927 Intermediate Similarity NPC281880
0.7927 Intermediate Similarity NPC472478
0.7901 Intermediate Similarity NPC80088
0.7901 Intermediate Similarity NPC476949
0.7901 Intermediate Similarity NPC74410
0.7901 Intermediate Similarity NPC253561
0.7901 Intermediate Similarity NPC179028
0.7901 Intermediate Similarity NPC475994
0.7895 Intermediate Similarity NPC94192
0.7889 Intermediate Similarity NPC180950
0.7889 Intermediate Similarity NPC259286
0.7882 Intermediate Similarity NPC471224
0.7882 Intermediate Similarity NPC470574
0.7882 Intermediate Similarity NPC241512
0.7882 Intermediate Similarity NPC109528
0.7882 Intermediate Similarity NPC29447
0.7882 Intermediate Similarity NPC474537
0.7882 Intermediate Similarity NPC274724
0.7882 Intermediate Similarity NPC6185
0.7882 Intermediate Similarity NPC469993
0.7875 Intermediate Similarity NPC253190
0.7875 Intermediate Similarity NPC180886
0.7875 Intermediate Similarity NPC250621
0.7867 Intermediate Similarity NPC279434
0.7865 Intermediate Similarity NPC131840
0.7865 Intermediate Similarity NPC38232
0.7865 Intermediate Similarity NPC474736
0.7865 Intermediate Similarity NPC476416
0.7865 Intermediate Similarity NPC69454
0.7857 Intermediate Similarity NPC102197
0.7857 Intermediate Similarity NPC53733
0.7857 Intermediate Similarity NPC64600
0.7857 Intermediate Similarity NPC97913
0.7857 Intermediate Similarity NPC105803
0.7857 Intermediate Similarity NPC105173
0.7857 Intermediate Similarity NPC79945
0.7841 Intermediate Similarity NPC85173
0.7841 Intermediate Similarity NPC472476
0.7841 Intermediate Similarity NPC474209
0.7841 Intermediate Similarity NPC476369
0.7841 Intermediate Similarity NPC134321
0.7841 Intermediate Similarity NPC476437
0.7841 Intermediate Similarity NPC475823
0.7831 Intermediate Similarity NPC6434
0.7831 Intermediate Similarity NPC116797
0.7831 Intermediate Similarity NPC159148
0.7826 Intermediate Similarity NPC103051
0.7826 Intermediate Similarity NPC478056
0.7816 Intermediate Similarity NPC472870
0.7816 Intermediate Similarity NPC328539
0.7816 Intermediate Similarity NPC117122
0.7816 Intermediate Similarity NPC206060
0.7816 Intermediate Similarity NPC104560
0.7816 Intermediate Similarity NPC58271
0.7816 Intermediate Similarity NPC472802
0.7816 Intermediate Similarity NPC158778
0.7805 Intermediate Similarity NPC30986
0.7805 Intermediate Similarity NPC281138
0.7805 Intermediate Similarity NPC283789
0.7805 Intermediate Similarity NPC209430
0.7805 Intermediate Similarity NPC470429
0.7805 Intermediate Similarity NPC215843
0.7805 Intermediate Similarity NPC231431
0.7802 Intermediate Similarity NPC249954
0.7802 Intermediate Similarity NPC117133
0.7791 Intermediate Similarity NPC145879
0.7791 Intermediate Similarity NPC94666
0.7791 Intermediate Similarity NPC179591
0.7791 Intermediate Similarity NPC82979
0.7791 Intermediate Similarity NPC470955
0.7791 Intermediate Similarity NPC158393
0.7791 Intermediate Similarity NPC175145
0.7791 Intermediate Similarity NPC474733
0.7791 Intermediate Similarity NPC31564
0.7791 Intermediate Similarity NPC474732
0.7791 Intermediate Similarity NPC475069
0.7791 Intermediate Similarity NPC474778
0.7778 Intermediate Similarity NPC74995
0.7778 Intermediate Similarity NPC149550
0.7778 Intermediate Similarity NPC91594
0.7778 Intermediate Similarity NPC472300
0.7778 Intermediate Similarity NPC85105
0.7778 Intermediate Similarity NPC197659
0.7765 Intermediate Similarity NPC306951
0.7765 Intermediate Similarity NPC19849
0.7765 Intermediate Similarity NPC329043
0.7765 Intermediate Similarity NPC237712
0.7765 Intermediate Similarity NPC96095
0.7765 Intermediate Similarity NPC214043
0.7765 Intermediate Similarity NPC164577
0.7765 Intermediate Similarity NPC161423
0.7765 Intermediate Similarity NPC227064

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC170394 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
0.8434 Intermediate Similarity NPD4519 Discontinued
0.8434 Intermediate Similarity NPD4623 Approved
0.825 Intermediate Similarity NPD4195 Approved
0.8171 Intermediate Similarity NPD4223 Phase 3
0.8171 Intermediate Similarity NPD4221 Approved
0.8148 Intermediate Similarity NPD4695 Discontinued
0.8 Intermediate Similarity NPD3618 Phase 1
0.8 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7976 Intermediate Similarity NPD4197 Approved
0.7882 Intermediate Similarity NPD5329 Approved
0.7791 Intermediate Similarity NPD4693 Phase 3
0.7791 Intermediate Similarity NPD4138 Approved
0.7791 Intermediate Similarity NPD4690 Approved
0.7791 Intermediate Similarity NPD5690 Phase 2
0.7791 Intermediate Similarity NPD4688 Approved
0.7791 Intermediate Similarity NPD4689 Approved
0.7791 Intermediate Similarity NPD5205 Approved
0.7765 Intermediate Similarity NPD3133 Approved
0.7765 Intermediate Similarity NPD3666 Approved
0.7765 Intermediate Similarity NPD3665 Phase 1
0.7753 Intermediate Similarity NPD6079 Approved
0.7738 Intermediate Similarity NPD3667 Approved
0.7727 Intermediate Similarity NPD5328 Approved
0.7701 Intermediate Similarity NPD3573 Approved
0.7683 Intermediate Similarity NPD3617 Approved
0.7667 Intermediate Similarity NPD4202 Approved
0.7586 Intermediate Similarity NPD4694 Approved
0.7586 Intermediate Similarity NPD5280 Approved
0.7579 Intermediate Similarity NPD5211 Phase 2
0.7558 Intermediate Similarity NPD4786 Approved
0.7556 Intermediate Similarity NPD7515 Phase 2
0.7528 Intermediate Similarity NPD4753 Phase 2
0.7471 Intermediate Similarity NPD1696 Phase 3
0.7468 Intermediate Similarity NPD4691 Approved
0.7423 Intermediate Similarity NPD5141 Approved
0.7419 Intermediate Similarity NPD5222 Approved
0.7419 Intermediate Similarity NPD5221 Approved
0.7419 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD7748 Approved
0.7375 Intermediate Similarity NPD4243 Approved
0.7368 Intermediate Similarity NPD5285 Approved
0.7368 Intermediate Similarity NPD5286 Approved
0.7368 Intermediate Similarity NPD4696 Approved
0.7342 Intermediate Similarity NPD4137 Phase 3
0.734 Intermediate Similarity NPD5173 Approved
0.734 Intermediate Similarity NPD4755 Approved
0.7312 Intermediate Similarity NPD4629 Approved
0.7312 Intermediate Similarity NPD5210 Approved
0.7292 Intermediate Similarity NPD5223 Approved
0.725 Intermediate Similarity NPD4747 Approved
0.7234 Intermediate Similarity NPD4697 Phase 3
0.7229 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD5224 Approved
0.7216 Intermediate Similarity NPD5225 Approved
0.7216 Intermediate Similarity NPD4633 Approved
0.7216 Intermediate Similarity NPD5226 Approved
0.7195 Intermediate Similarity NPD4058 Approved
0.7195 Intermediate Similarity NPD4784 Approved
0.7195 Intermediate Similarity NPD4785 Approved
0.7191 Intermediate Similarity NPD5279 Phase 3
0.7188 Intermediate Similarity NPD7640 Approved
0.7188 Intermediate Similarity NPD4700 Approved
0.7188 Intermediate Similarity NPD7639 Approved
0.7176 Intermediate Similarity NPD7645 Phase 2
0.7174 Intermediate Similarity NPD5284 Approved
0.7174 Intermediate Similarity NPD5281 Approved
0.7159 Intermediate Similarity NPD3668 Phase 3
0.7158 Intermediate Similarity NPD7902 Approved
0.7143 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5175 Approved
0.7143 Intermediate Similarity NPD5174 Approved
0.7111 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD4190 Phase 3
0.7108 Intermediate Similarity NPD6942 Approved
0.7108 Intermediate Similarity NPD5275 Approved
0.7108 Intermediate Similarity NPD7339 Approved
0.7093 Intermediate Similarity NPD7525 Registered
0.7083 Intermediate Similarity NPD4225 Approved
0.7083 Intermediate Similarity NPD7638 Approved
0.7065 Intermediate Similarity NPD4096 Approved
0.7045 Intermediate Similarity NPD4788 Approved
0.7033 Intermediate Similarity NPD5208 Approved
0.7011 Intermediate Similarity NPD4692 Approved
0.7011 Intermediate Similarity NPD4139 Approved
0.7 Intermediate Similarity NPD7521 Approved
0.7 Intermediate Similarity NPD7146 Approved
0.7 Intermediate Similarity NPD6684 Approved
0.7 Intermediate Similarity NPD5330 Approved
0.7 Intermediate Similarity NPD6409 Approved
0.7 Intermediate Similarity NPD7334 Approved
0.6989 Remote Similarity NPD5693 Phase 1
0.6979 Remote Similarity NPD6083 Phase 2
0.6979 Remote Similarity NPD6084 Phase 2
0.697 Remote Similarity NPD4754 Approved
0.6962 Remote Similarity NPD7331 Phase 2
0.6957 Remote Similarity NPD6904 Approved
0.6957 Remote Similarity NPD6673 Approved
0.6957 Remote Similarity NPD6080 Approved
0.6947 Remote Similarity NPD5695 Phase 3
0.6932 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6931 Remote Similarity NPD5697 Approved
0.6915 Remote Similarity NPD6399 Phase 3
0.6915 Remote Similarity NPD5133 Approved
0.6907 Remote Similarity NPD5290 Discontinued
0.6907 Remote Similarity NPD5696 Approved
0.6905 Remote Similarity NPD8264 Approved
0.6875 Remote Similarity NPD7614 Phase 1
0.6869 Remote Similarity NPD5091 Approved
0.6863 Remote Similarity NPD5128 Approved
0.6863 Remote Similarity NPD6011 Approved
0.6863 Remote Similarity NPD4729 Approved
0.6863 Remote Similarity NPD6899 Approved
0.6863 Remote Similarity NPD4730 Approved
0.6863 Remote Similarity NPD6881 Approved
0.6848 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6848 Remote Similarity NPD5737 Approved
0.6848 Remote Similarity NPD6903 Approved
0.6848 Remote Similarity NPD4518 Approved
0.6848 Remote Similarity NPD6672 Approved
0.6842 Remote Similarity NPD6001 Approved
0.6842 Remote Similarity NPD7900 Approved
0.6842 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6837 Remote Similarity NPD6404 Discontinued
0.6835 Remote Similarity NPD7341 Phase 2
0.6832 Remote Similarity NPD4768 Approved
0.6832 Remote Similarity NPD5739 Approved
0.6832 Remote Similarity NPD6675 Approved
0.6832 Remote Similarity NPD6402 Approved
0.6832 Remote Similarity NPD7128 Approved
0.6832 Remote Similarity NPD4767 Approved
0.6822 Remote Similarity NPD7115 Discovery
0.6813 Remote Similarity NPD6098 Approved
0.6796 Remote Similarity NPD6014 Approved
0.6796 Remote Similarity NPD6013 Approved
0.6796 Remote Similarity NPD6012 Approved
0.679 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5733 Approved
0.6786 Remote Similarity NPD4687 Approved
0.6771 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5701 Approved
0.6747 Remote Similarity NPD5276 Approved
0.6731 Remote Similarity NPD5250 Approved
0.6731 Remote Similarity NPD5249 Phase 3
0.6731 Remote Similarity NPD7102 Approved
0.6731 Remote Similarity NPD5169 Approved
0.6731 Remote Similarity NPD5248 Approved
0.6731 Remote Similarity NPD4634 Approved
0.6731 Remote Similarity NPD5247 Approved
0.6731 Remote Similarity NPD6883 Approved
0.6731 Remote Similarity NPD5135 Approved
0.6731 Remote Similarity NPD5251 Approved
0.6731 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6731 Remote Similarity NPD7290 Approved
0.6703 Remote Similarity NPD1694 Approved
0.6702 Remote Similarity NPD5207 Approved
0.6702 Remote Similarity NPD5692 Phase 3
0.6699 Remote Similarity NPD7320 Approved
0.6699 Remote Similarity NPD5168 Approved
0.6667 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD6869 Approved
0.6667 Remote Similarity NPD5216 Approved
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD6847 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD8130 Phase 1
0.6667 Remote Similarity NPD5217 Approved
0.6667 Remote Similarity NPD6650 Approved
0.6667 Remote Similarity NPD6617 Approved
0.6635 Remote Similarity NPD6373 Approved
0.6635 Remote Similarity NPD6372 Approved
0.6632 Remote Similarity NPD5694 Approved
0.6632 Remote Similarity NPD6050 Approved
0.6604 Remote Similarity NPD6882 Approved
0.6604 Remote Similarity NPD8297 Approved
0.6588 Remote Similarity NPD6926 Approved
0.6588 Remote Similarity NPD6924 Approved
0.6585 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6585 Remote Similarity NPD5360 Phase 3
0.6542 Remote Similarity NPD4632 Approved
0.6535 Remote Similarity NPD7632 Discontinued
0.6522 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6517 Remote Similarity NPD6931 Approved
0.6517 Remote Similarity NPD4748 Discontinued
0.6517 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6517 Remote Similarity NPD6930 Phase 2
0.6509 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6494 Remote Similarity NPD287 Approved
0.6481 Remote Similarity NPD5167 Approved
0.6477 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6456 Remote Similarity NPD4191 Approved
0.6456 Remote Similarity NPD4193 Approved
0.6456 Remote Similarity NPD4192 Approved
0.6456 Remote Similarity NPD4194 Approved
0.6456 Remote Similarity NPD368 Approved
0.6444 Remote Similarity NPD8028 Phase 2
0.6437 Remote Similarity NPD6933 Approved
0.6422 Remote Similarity NPD6274 Approved
0.6421 Remote Similarity NPD6051 Approved
0.6404 Remote Similarity NPD6929 Approved
0.6364 Remote Similarity NPD6009 Approved

Structure

External Identifiers

PubChem CID   44427460
ChEMBL   CHEMBL243549
ZINC  

Physicochemical Properties

Molecular Weight:  302.22
ALogP:  1.4051
MLogP:  3.44
XLogP:  4.974
# Rotatable Bonds:  7
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  22

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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