Natural Product: NPC269923

Natural Product ID:  NPC269923
Common Name:   7-Oxo-15-Hydroxydehydroabietic Acid
IUPAC Name:   (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
Synonyms:  
Molecular Formula:   C20H26O4
Standard InCHIKey:  MXPXAZNVQUWDFH-NSISKUIASA-N
Standard InCHI:  InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1
Canonical SMILES:  OC(=O)[C@]1(C)CCC[C@]2([C@H]1CC(=O)c1c2ccc(c1)C(O)(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
NPO12322 Amomum krervanh Species Zingiberaceae Eukaryota UNPD*
NPO30645 Poria cocos Species Coriolaceae Eukaryota TCM_Taiwan*
NPO10588 Diploschistes violarius Species Graphidaceae Eukaryota UNPD*
NPO1191 Castanea mollissima Species Fagaceae Eukaryota UNPD*
NPO5205 Gymnoascus reesii Species Gymnoascaceae Eukaryota UNPD*
NPO11832 Pinus banksiana Species Pinaceae Eukaryota UNPD*
NPO12895 Polypodiodes niponica Species Polypodiaceae Eukaryota UNPD*
NPO10177 Eria linearifolia Species Orchidaceae Eukaryota UNPD*
NPO9311 Parkia clappertoniana Species Fabaceae Eukaryota UNPD*
NPO9051 Delesseria sanguinea Species Delesseriaceae Eukaryota UNPD*
NPO20619 Ougeinia dalbergioides NA NA NA UNPD*
NPO19502 Squamopappus skutchii Species Asteraceae Eukaryota UNPD*
NPO9522 Pericopsis angolensis Species Fabaceae Eukaryota UNPD*
NPO4144 Scutia buxifolia Species Rhamnaceae Eukaryota UNPD*
NPO3102 Arachniodes exilis Species Dryopteridaceae Eukaryota UNPD*
NPO3762 Amentotaxus argotaenia Species Taxaceae Eukaryota UNPD*
NPO21014 Brucea antidysenterica Species Simaroubaceae Eukaryota UNPD*
NPO2882 Abies georgei Species Pinaceae Eukaryota Aerial parts Zhongdian city, Yunnan Province of China PMID[20022253]
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota epidermis of the sclerotia PMID[19746919]
NPO17292 Asparagus racemosus Species Asparagaceae Eukaryota UNPD*
NPO21165 Phagnalon atlanticum Species Asteraceae Eukaryota UNPD*
NPO822 Cressa cretica Species Convolvulaceae Eukaryota UNPD*
NPO22470 Corynebacterium glutamicum Species Corynebacteriaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 44 ug/ml 20022253
NPT2 Others Unspecified IC50 > 100 ug/ml 20022253
NPT114 Cell Line LoVo Homo sapiens IC50 > 25 ug/ml 20022253
NPT2 Others Unspecified IC50 > 25 ug/ml 20022253
NPT80 Cell Line Raji Homo sapiens Inhibition = 60 % 19746919
NPT2 Others Unspecified IC50 = 238 molar ratio 19746919
NPT2 Others Unspecified Inhibition = 93.4 % 19746919
NPT2 Others Unspecified Inhibition = 69.1 % 19746919
NPT2 Others Unspecified Inhibition = 19.5 % 19746919
NPT2 Others Unspecified Inhibition = 0 % 19746919
NPT116 Cell Line HL-60 Homo sapiens IC50 > 100000 nM 19746919
NPT2 Others Unspecified IC50 > 100000 nM 19746919
NPT76 Cell Line C6 Rattus norvegicus Activity = 161.7 % 26812172
NPT76 Cell Line C6 Rattus norvegicus Activity = 94.6 % 26812172
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 26812172
NPT2 Others Unspecified IC50 > 10000 nM 26812172
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 > 10000 nM 26812172

  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 NPC269923 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 NPC167323
0.9828 High Similarity NPC85511
0.9211 High Similarity NPC471721
0.918 High Similarity NPC51448
0.918 High Similarity NPC115797
0.9138 High Similarity NPC158157
0.9123 High Similarity NPC93287
0.8947 High Similarity NPC95126
0.8947 High Similarity NPC475002
0.8803 High Similarity NPC186933
0.876 High Similarity NPC472981
0.8707 High Similarity NPC280789
0.8707 High Similarity NPC66208
0.8655 High Similarity NPC212891
0.8644 High Similarity NPC476357
0.8621 High Similarity NPC474057
0.8537 High Similarity NPC369
0.8537 High Similarity NPC293831
0.8492 Intermediate Similarity NPC474106
0.8487 Intermediate Similarity NPC221275
0.8487 Intermediate Similarity NPC215419
0.8462 Intermediate Similarity NPC265513
0.8448 Intermediate Similarity NPC318327
0.8443 Intermediate Similarity NPC202015
0.8403 Intermediate Similarity NPC196673
0.839 Intermediate Similarity NPC471188
0.8374 Intermediate Similarity NPC183339
0.8374 Intermediate Similarity NPC234337
0.8374 Intermediate Similarity NPC133389
0.8333 Intermediate Similarity NPC93181
0.8333 Intermediate Similarity NPC274839
0.8319 Intermediate Similarity NPC143768
0.8281 Intermediate Similarity NPC78364
0.8281 Intermediate Similarity NPC69424
0.8281 Intermediate Similarity NPC176130
0.8281 Intermediate Similarity NPC84672
0.8279 Intermediate Similarity NPC45794
0.8271 Intermediate Similarity NPC472308
0.8254 Intermediate Similarity NPC328107
0.8246 Intermediate Similarity NPC25458
0.8246 Intermediate Similarity NPC304873
0.8235 Intermediate Similarity NPC292834
0.8231 Intermediate Similarity NPC108129
0.8217 Intermediate Similarity NPC229894
0.8211 Intermediate Similarity NPC472698
0.8211 Intermediate Similarity NPC472697
0.8205 Intermediate Similarity NPC249811
0.8203 Intermediate Similarity NPC253681
0.8197 Intermediate Similarity NPC105141
0.8197 Intermediate Similarity NPC469843
0.8197 Intermediate Similarity NPC242764
0.8195 Intermediate Similarity NPC477596
0.819 Intermediate Similarity NPC105899
0.8189 Intermediate Similarity NPC295664
0.8182 Intermediate Similarity NPC477139
0.8174 Intermediate Similarity NPC329556
0.8174 Intermediate Similarity NPC255676
0.8174 Intermediate Similarity NPC247976
0.8168 Intermediate Similarity NPC18798
0.8158 Intermediate Similarity NPC136810
0.8158 Intermediate Similarity NPC128248
0.8158 Intermediate Similarity NPC225079
0.8158 Intermediate Similarity NPC133809
0.8154 Intermediate Similarity NPC276238
0.8154 Intermediate Similarity NPC117899
0.8154 Intermediate Similarity NPC303910
0.8151 Intermediate Similarity NPC133308
0.8145 Intermediate Similarity NPC476645
0.814 Intermediate Similarity NPC72667
0.813 Intermediate Similarity NPC222968
0.813 Intermediate Similarity NPC80605
0.813 Intermediate Similarity NPC323440
0.8125 Intermediate Similarity NPC470649
0.8125 Intermediate Similarity NPC275576
0.8125 Intermediate Similarity NPC478107
0.8125 Intermediate Similarity NPC470765
0.812 Intermediate Similarity NPC94751
0.812 Intermediate Similarity NPC202225
0.812 Intermediate Similarity NPC100767
0.812 Intermediate Similarity NPC477594
0.812 Intermediate Similarity NPC142326
0.811 Intermediate Similarity NPC228739
0.8103 Intermediate Similarity NPC329282
0.8103 Intermediate Similarity NPC472221
0.8103 Intermediate Similarity NPC472222
0.8099 Intermediate Similarity NPC130591
0.8099 Intermediate Similarity NPC234637
0.8092 Intermediate Similarity NPC472682
0.8092 Intermediate Similarity NPC472692
0.8087 Intermediate Similarity NPC284477
0.8077 Intermediate Similarity NPC193203
0.8074 Intermediate Similarity NPC475957
0.807 Intermediate Similarity NPC217621
0.8062 Intermediate Similarity NPC470753
0.8062 Intermediate Similarity NPC473220
0.8062 Intermediate Similarity NPC254492
0.8062 Intermediate Similarity NPC169913
0.8045 Intermediate Similarity NPC126516
0.8045 Intermediate Similarity NPC329913
0.8034 Intermediate Similarity NPC471186
0.803 Intermediate Similarity NPC471851
0.8029 Intermediate Similarity NPC315578
0.8017 Intermediate Similarity NPC471481
0.8017 Intermediate Similarity NPC470253
0.8016 Intermediate Similarity NPC476234
0.8015 Intermediate Similarity NPC471832
0.8015 Intermediate Similarity NPC4214
0.8015 Intermediate Similarity NPC25736
0.8015 Intermediate Similarity NPC171460
0.8 Intermediate Similarity NPC204784
0.8 Intermediate Similarity NPC472708
0.7985 Intermediate Similarity NPC23894
0.7985 Intermediate Similarity NPC474659
0.7984 Intermediate Similarity NPC228318
0.7982 Intermediate Similarity NPC229242
0.7969 Intermediate Similarity NPC51079
0.7969 Intermediate Similarity NPC318067
0.7969 Intermediate Similarity NPC275145
0.7966 Intermediate Similarity NPC37914
0.7956 Intermediate Similarity NPC26924
0.7951 Intermediate Similarity NPC294458
0.7941 Intermediate Similarity NPC477592
0.7939 Intermediate Similarity NPC96024
0.7937 Intermediate Similarity NPC232958
0.7934 Intermediate Similarity NPC218855
0.7926 Intermediate Similarity NPC80035
0.792 Intermediate Similarity NPC318173
0.792 Intermediate Similarity NPC254233
0.7913 Intermediate Similarity NPC228435
0.791 Intermediate Similarity NPC78307
0.791 Intermediate Similarity NPC115458
0.791 Intermediate Similarity NPC111845
0.7907 Intermediate Similarity NPC199273
0.7895 Intermediate Similarity NPC253423
0.7887 Intermediate Similarity NPC5568
0.7886 Intermediate Similarity NPC474095
0.7883 Intermediate Similarity NPC477593
0.7868 Intermediate Similarity NPC474311
0.7863 Intermediate Similarity NPC19856
0.7857 Intermediate Similarity NPC42657
0.7852 Intermediate Similarity NPC288089
0.7852 Intermediate Similarity NPC477896
0.7852 Intermediate Similarity NPC477893
0.7845 Intermediate Similarity NPC109514
0.7829 Intermediate Similarity NPC472704
0.7829 Intermediate Similarity NPC472681
0.7812 Intermediate Similarity NPC249340
0.7812 Intermediate Similarity NPC162935
0.7807 Intermediate Similarity NPC185208
0.7807 Intermediate Similarity NPC219573
0.7807 Intermediate Similarity NPC61944
0.7805 Intermediate Similarity NPC326664
0.7803 Intermediate Similarity NPC3009
0.7803 Intermediate Similarity NPC48248
0.7795 Intermediate Similarity NPC238861
0.7795 Intermediate Similarity NPC77000
0.7794 Intermediate Similarity NPC153088
0.7787 Intermediate Similarity NPC186128
0.7786 Intermediate Similarity NPC473751
0.7786 Intermediate Similarity NPC470648
0.7778 Intermediate Similarity NPC474310
0.7778 Intermediate Similarity NPC310662
0.7778 Intermediate Similarity NPC138472
0.7778 Intermediate Similarity NPC203486
0.7761 Intermediate Similarity NPC17083
0.7759 Intermediate Similarity NPC221825
0.7754 Intermediate Similarity NPC13715
0.7754 Intermediate Similarity NPC471974
0.7754 Intermediate Similarity NPC469680
0.7754 Intermediate Similarity NPC469681
0.7752 Intermediate Similarity NPC472703
0.7752 Intermediate Similarity NPC223351
0.7752 Intermediate Similarity NPC282577
0.7752 Intermediate Similarity NPC91478
0.7744 Intermediate Similarity NPC262819
0.7739 Intermediate Similarity NPC239185
0.7737 Intermediate Similarity NPC272268
0.7734 Intermediate Similarity NPC241001
0.7731 Intermediate Similarity NPC172483
0.773 Intermediate Similarity NPC66593
0.7727 Intermediate Similarity NPC268607
0.7727 Intermediate Similarity NPC472678
0.7724 Intermediate Similarity NPC315520
0.7714 Intermediate Similarity NPC477894
0.7714 Intermediate Similarity NPC477595
0.771 Intermediate Similarity NPC123506
0.771 Intermediate Similarity NPC137416
0.7705 Intermediate Similarity NPC210089
0.7704 Intermediate Similarity NPC472656
0.7698 Intermediate Similarity NPC294330
0.7698 Intermediate Similarity NPC268930
0.7692 Intermediate Similarity NPC476993
0.7692 Intermediate Similarity NPC174991
0.7692 Intermediate Similarity NPC12881
0.7692 Intermediate Similarity NPC140118
0.7692 Intermediate Similarity NPC77691
0.7692 Intermediate Similarity NPC282895
0.7687 Intermediate Similarity NPC72915
0.7686 Intermediate Similarity NPC470252
0.7681 Intermediate Similarity NPC118366

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC269923 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
0.913 High Similarity NPD5951 Approved
0.8678 High Similarity NPD7163 Clinical (unspecified phase)
0.8448 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.8295 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.8174 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.8174 Intermediate Similarity NPD1929 Approved
0.8174 Intermediate Similarity NPD1930 Approved
0.8154 Intermediate Similarity NPD7008 Discontinued
0.807 Intermediate Similarity NPD2066 Phase 3
0.7851 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7795 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD3495 Discontinued
0.7698 Intermediate Similarity NPD7610 Discontinued
0.7627 Intermediate Similarity NPD1932 Approved
0.7615 Intermediate Similarity NPD4878 Approved
0.7606 Intermediate Similarity NPD7236 Approved
0.7589 Intermediate Similarity NPD7003 Approved
0.7544 Intermediate Similarity NPD1088 Approved
0.7541 Intermediate Similarity NPD2329 Discontinued
0.7519 Intermediate Similarity NPD3019 Approved
0.75 Intermediate Similarity NPD7009 Phase 2
0.75 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7478 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD7239 Suspended
0.746 Intermediate Similarity NPD2629 Approved
0.7442 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD5406 Approved
0.7429 Intermediate Similarity NPD5408 Approved
0.7429 Intermediate Similarity NPD5404 Approved
0.7429 Intermediate Similarity NPD5405 Approved
0.7424 Intermediate Similarity NPD182 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD7458 Discontinued
0.7414 Intermediate Similarity NPD1693 Approved
0.7414 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD6287 Discontinued
0.7385 Intermediate Similarity NPD2932 Approved
0.7372 Intermediate Similarity NPD7961 Discontinued
0.7368 Intermediate Similarity NPD1089 Approved
0.7368 Intermediate Similarity NPD1086 Approved
0.7368 Intermediate Similarity NPD9258 Approved
0.7368 Intermediate Similarity NPD9256 Approved
0.7368 Intermediate Similarity NPD1090 Approved
0.7355 Intermediate Similarity NPD1237 Approved
0.7353 Intermediate Similarity NPD6966 Discovery
0.7328 Intermediate Similarity NPD1202 Approved
0.7313 Intermediate Similarity NPD1470 Approved
0.7299 Intermediate Similarity NPD3764 Approved
0.7297 Intermediate Similarity NPD3226 Approved
0.7281 Intermediate Similarity NPD800 Approved
0.728 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1201 Approved
0.7273 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD4198 Discontinued
0.7265 Intermediate Similarity NPD6049 Phase 2
0.7265 Intermediate Similarity NPD6048 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD2182 Approved
0.7254 Intermediate Similarity NPD2346 Discontinued
0.7246 Intermediate Similarity NPD7714 Approved
0.7246 Intermediate Similarity NPD7715 Approved
0.7234 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD164 Approved
0.7213 Intermediate Similarity NPD5909 Discontinued
0.72 Intermediate Similarity NPD1317 Discontinued
0.7197 Intermediate Similarity NPD4879 Approved
0.7197 Intermediate Similarity NPD3023 Approved
0.7197 Intermediate Similarity NPD3026 Approved
0.7197 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD3025 Approved
0.7176 Intermediate Similarity NPD3024 Approved
0.7165 Intermediate Similarity NPD6858 Approved
0.7165 Intermediate Similarity NPD7094 Approved
0.7155 Intermediate Similarity NPD1239 Approved
0.7143 Intermediate Similarity NPD1566 Phase 3
0.7143 Intermediate Similarity NPD1565 Approved
0.7143 Intermediate Similarity NPD1564 Approved
0.7133 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD6663 Approved
0.7121 Intermediate Similarity NPD2345 Approved
0.7105 Intermediate Similarity NPD1087 Approved
0.7103 Intermediate Similarity NPD4628 Phase 3
0.7103 Intermediate Similarity NPD8166 Discontinued
0.7094 Intermediate Similarity NPD7631 Approved
0.709 Intermediate Similarity NPD3972 Approved
0.708 Intermediate Similarity NPD5736 Approved
0.7054 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD3268 Approved
0.7018 Intermediate Similarity NPD9259 Approved
0.7018 Intermediate Similarity NPD9257 Approved
0.7013 Intermediate Similarity NPD7058 Phase 2
0.7013 Intermediate Similarity NPD7057 Phase 3
0.7009 Intermediate Similarity NPD7609 Phase 3
0.7007 Intermediate Similarity NPD4980 Approved
0.7 Intermediate Similarity NPD3317 Approved
0.6993 Remote Similarity NPD7305 Phase 1
0.6993 Remote Similarity NPD2799 Discontinued
0.6993 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6992 Remote Similarity NPD6647 Phase 2
0.6992 Remote Similarity NPD4199 Phase 3
0.6985 Remote Similarity NPD1283 Approved
0.698 Remote Similarity NPD6273 Approved
0.6959 Remote Similarity NPD7390 Discontinued
0.6954 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6953 Remote Similarity NPD9508 Approved
0.6934 Remote Similarity NPD1164 Approved
0.6929 Remote Similarity NPD2313 Discontinued
0.6917 Remote Similarity NPD1989 Approved
0.6905 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6899 Remote Similarity NPD5277 Phase 2
0.6891 Remote Similarity NPD1563 Approved
0.6885 Remote Similarity NPD1238 Approved
0.6884 Remote Similarity NPD2798 Approved
0.6875 Remote Similarity NPD4308 Phase 3
0.6866 Remote Similarity NPD5306 Approved
0.6866 Remote Similarity NPD5305 Approved
0.6846 Remote Similarity NPD6010 Discontinued
0.6842 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5086 Approved
0.6818 Remote Similarity NPD405 Clinical (unspecified phase)
0.681 Remote Similarity NPD650 Approved
0.6803 Remote Similarity NPD9495 Approved
0.6791 Remote Similarity NPD4102 Approved
0.6791 Remote Similarity NPD4105 Approved
0.6788 Remote Similarity NPD5157 Phase 1
0.6788 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6788 Remote Similarity NPD5159 Phase 2
0.6783 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6779 Remote Similarity NPD3300 Phase 2
0.6765 Remote Similarity NPD1281 Approved
0.6765 Remote Similarity NPD4806 Approved
0.6765 Remote Similarity NPD4807 Approved
0.6761 Remote Similarity NPD8032 Phase 2
0.6757 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6754 Remote Similarity NPD9491 Approved
0.6754 Remote Similarity NPD3971 Phase 1
0.6753 Remote Similarity NPD7411 Suspended
0.6746 Remote Similarity NPD5048 Discontinued
0.6741 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6739 Remote Similarity NPD1888 Phase 1
0.6736 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6728 Remote Similarity NPD7799 Discontinued
0.6718 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6716 Remote Similarity NPD7741 Discontinued
0.6716 Remote Similarity NPD9545 Approved
0.6712 Remote Similarity NPD2935 Discontinued
0.6695 Remote Similarity NPD5347 Phase 2
0.6695 Remote Similarity NPD5346 Phase 2
0.6691 Remote Similarity NPD3266 Approved
0.6691 Remote Similarity NPD3267 Approved
0.6691 Remote Similarity NPD4136 Approved
0.6691 Remote Similarity NPD4135 Approved
0.6691 Remote Similarity NPD4106 Approved
0.6691 Remote Similarity NPD2797 Approved
0.6689 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7473 Discontinued
0.6667 Remote Similarity NPD1245 Approved
0.6667 Remote Similarity NPD7819 Suspended
0.6644 Remote Similarity NPD3750 Approved
0.6643 Remote Similarity NPD6085 Phase 2
0.6643 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6643 Remote Similarity NPD7713 Phase 3
0.6641 Remote Similarity NPD9263 Approved
0.6641 Remote Similarity NPD7635 Approved
0.6641 Remote Similarity NPD9264 Approved
0.6641 Remote Similarity NPD9267 Approved
0.6641 Remote Similarity NPD2342 Discontinued
0.6624 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6619 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6619 Remote Similarity NPD1876 Approved
0.6618 Remote Similarity NPD4059 Approved
0.6618 Remote Similarity NPD4626 Approved
0.6599 Remote Similarity NPD6100 Approved
0.6599 Remote Similarity NPD6099 Approved
0.6597 Remote Similarity NPD4307 Phase 2
0.6597 Remote Similarity NPD2979 Phase 3
0.6594 Remote Similarity NPD1608 Approved
0.6594 Remote Similarity NPD6637 Approved
0.6593 Remote Similarity NPD3091 Approved
0.6589 Remote Similarity NPD74 Approved
0.6589 Remote Similarity NPD9266 Approved
0.6584 Remote Similarity NPD6232 Discontinued
0.6579 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6579 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6579 Remote Similarity NPD226 Approved
0.6573 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6567 Remote Similarity NPD9493 Approved
0.6557 Remote Similarity NPD9260 Approved
0.6554 Remote Similarity NPD1471 Phase 3
0.6547 Remote Similarity NPD1755 Approved
0.6544 Remote Similarity NPD1651 Approved
0.6541 Remote Similarity NPD1246 Approved
0.6529 Remote Similarity NPD1508 Approved
0.6525 Remote Similarity NPD4793 Discontinued
0.6524 Remote Similarity NPD7177 Discontinued
0.6522 Remote Similarity NPD5618 Discontinued
0.6519 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6513 Remote Similarity NPD8165 Discontinued
0.6507 Remote Similarity NPD6817 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   14017925
ChEMBL   CHEMBL597920
ZINC  

Physicochemical Properties

Molecular Weight:  330.18
ALogP:  -0.0847
MLogP:  3.22
XLogP:  3.853
# Rotatable Bonds:  8
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  24

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Biological Activities  
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