Natural Product: NPC95526

Natural Product ID:  NPC95526
Common Name:   Taepeenin D
IUPAC Name:   methyl (4R,4aR,5R,11bS)-5-acetyloxy-4,7,11b-trimethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-4-carboxylate
Synonyms:   taepeenin D
Molecular Formula:   C23H28O5
Standard InCHIKey:  KUDGKETXNRKTHI-OHUMZHCVSA-N
Standard InCHI:  InChI=1S/C23H28O5/c1-13-15-7-10-27-18(15)12-17-16(13)11-19(28-14(2)24)20-22(17,3)8-6-9-23(20,4)21(25)26-5/h7,10,12,19-20H,6,8-9,11H2,1-5H3/t19-,20-,22-,23-/m1/s1
Canonical SMILES:  COC(=O)[C@]1(C)CCC[C@]2([C@H]1[C@H](OC(=O)C)Cc1c2cc2c(c1C)cco2)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
NPO22703 Lithoplocamia lithistoides NA NA NA UNPD*
NPO529 Thalictrum glaucum Species Ranunculaceae Eukaryota UNPD*
NPO18156 Andrographis lineata Species Acanthaceae Eukaryota UNPD*
NPO3816 Aspergillus sulphureus Species Aspergillaceae Eukaryota UNPD*
NPO18970 Baccharis patagonica Species Asteraceae Eukaryota UNPD*
NPO30398 Acacia pennata Species Fabaceae Eukaryota Leaves PMID[20450170]
NPO19115 Hoya australis Species Apocynaceae Eukaryota UNPD*
NPO7358 Xanthoparmelia verrucigera Species Parmeliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 1600 nM 20450170
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 3200 nM 20450170
NPT90 Cell Line DU-145 Homo sapiens IC50 = 3400 nM 20450170

  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 NPC95526 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
0.9724 High Similarity NPC44606
0.9716 High Similarity NPC290038
0.9517 High Similarity NPC472298
0.94 High Similarity NPC472299
0.9195 High Similarity NPC10429
0.9079 High Similarity NPC123153
0.9021 High Similarity NPC233707
0.891 High Similarity NPC308156
0.8881 High Similarity NPC307401
0.8873 High Similarity NPC324117
0.8873 High Similarity NPC209858
0.8844 High Similarity NPC158871
0.8808 High Similarity NPC144010
0.8797 High Similarity NPC255787
0.8797 High Similarity NPC291742
0.8759 High Similarity NPC202260
0.8742 High Similarity NPC472660
0.8734 High Similarity NPC41689
0.86 High Similarity NPC233763
0.8543 High Similarity NPC71821
0.8543 High Similarity NPC281398
0.8537 High Similarity NPC472661
0.8516 High Similarity NPC179170
0.8516 High Similarity NPC25351
0.8477 Intermediate Similarity NPC478166
0.8471 Intermediate Similarity NPC158542
0.8452 Intermediate Similarity NPC24232
0.8446 Intermediate Similarity NPC476191
0.8418 Intermediate Similarity NPC218818
0.8418 Intermediate Similarity NPC239118
0.8418 Intermediate Similarity NPC4950
0.8411 Intermediate Similarity NPC114513
0.8411 Intermediate Similarity NPC56731
0.8411 Intermediate Similarity NPC245522
0.8403 Intermediate Similarity NPC164295
0.8393 Intermediate Similarity NPC472662
0.8393 Intermediate Similarity NPC472663
0.8387 Intermediate Similarity NPC145830
0.8377 Intermediate Similarity NPC212257
0.8366 Intermediate Similarity NPC478163
0.8345 Intermediate Similarity NPC183103
0.8344 Intermediate Similarity NPC41880
0.8344 Intermediate Similarity NPC104736
0.8322 Intermediate Similarity NPC59502
0.8312 Intermediate Similarity NPC192069
0.8311 Intermediate Similarity NPC471542
0.8302 Intermediate Similarity NPC477692
0.8291 Intermediate Similarity NPC304692
0.8291 Intermediate Similarity NPC7059
0.8291 Intermediate Similarity NPC221992
0.8289 Intermediate Similarity NPC27798
0.8289 Intermediate Similarity NPC93241
0.8278 Intermediate Similarity NPC470273
0.8276 Intermediate Similarity NPC470976
0.8276 Intermediate Similarity NPC239134
0.8276 Intermediate Similarity NPC196979
0.8276 Intermediate Similarity NPC279596
0.8276 Intermediate Similarity NPC470977
0.8272 Intermediate Similarity NPC279768
0.8269 Intermediate Similarity NPC121615
0.8269 Intermediate Similarity NPC294511
0.8258 Intermediate Similarity NPC474305
0.8258 Intermediate Similarity NPC228842
0.825 Intermediate Similarity NPC471003
0.8247 Intermediate Similarity NPC93666
0.8239 Intermediate Similarity NPC474611
0.8235 Intermediate Similarity NPC62799
0.8228 Intermediate Similarity NPC478159
0.8228 Intermediate Similarity NPC478161
0.8224 Intermediate Similarity NPC117674
0.8224 Intermediate Similarity NPC472840
0.8219 Intermediate Similarity NPC293253
0.8217 Intermediate Similarity NPC471863
0.8212 Intermediate Similarity NPC149780
0.8212 Intermediate Similarity NPC263337
0.8207 Intermediate Similarity NPC282230
0.8207 Intermediate Similarity NPC183348
0.8205 Intermediate Similarity NPC13282
0.82 Intermediate Similarity NPC56197
0.8199 Intermediate Similarity NPC14499
0.8199 Intermediate Similarity NPC476035
0.8199 Intermediate Similarity NPC475039
0.8194 Intermediate Similarity NPC127827
0.8194 Intermediate Similarity NPC474306
0.8194 Intermediate Similarity NPC198904
0.8194 Intermediate Similarity NPC475848
0.8188 Intermediate Similarity NPC476943
0.8187 Intermediate Similarity NPC287559
0.8187 Intermediate Similarity NPC8389
0.8187 Intermediate Similarity NPC226287
0.8182 Intermediate Similarity NPC286038
0.8182 Intermediate Similarity NPC224418
0.8176 Intermediate Similarity NPC88007
0.8176 Intermediate Similarity NPC81405
0.8176 Intermediate Similarity NPC195954
0.8176 Intermediate Similarity NPC194499
0.8171 Intermediate Similarity NPC473945
0.817 Intermediate Similarity NPC471305
0.8165 Intermediate Similarity NPC88958
0.8153 Intermediate Similarity NPC48671
0.8151 Intermediate Similarity NPC15083
0.8148 Intermediate Similarity NPC276735
0.8141 Intermediate Similarity NPC261322
0.8141 Intermediate Similarity NPC475722
0.8138 Intermediate Similarity NPC66246
0.8138 Intermediate Similarity NPC170546
0.8137 Intermediate Similarity NPC79571
0.8137 Intermediate Similarity NPC188649
0.8137 Intermediate Similarity NPC68848
0.8133 Intermediate Similarity NPC474722
0.8129 Intermediate Similarity NPC19747
0.8129 Intermediate Similarity NPC66991
0.8129 Intermediate Similarity NPC113428
0.8129 Intermediate Similarity NPC61284
0.8129 Intermediate Similarity NPC150215
0.8125 Intermediate Similarity NPC299094
0.8125 Intermediate Similarity NPC10051
0.8125 Intermediate Similarity NPC140952
0.8117 Intermediate Similarity NPC208584
0.8117 Intermediate Similarity NPC471292
0.8113 Intermediate Similarity NPC3898
0.811 Intermediate Similarity NPC296558
0.811 Intermediate Similarity NPC298071
0.8105 Intermediate Similarity NPC199044
0.8105 Intermediate Similarity NPC238843
0.8101 Intermediate Similarity NPC477690
0.8099 Intermediate Similarity NPC178382
0.8098 Intermediate Similarity NPC132054
0.8098 Intermediate Similarity NPC100849
0.8095 Intermediate Similarity NPC295914
0.8089 Intermediate Similarity NPC474660
0.8089 Intermediate Similarity NPC191104
0.8086 Intermediate Similarity NPC24761
0.8086 Intermediate Similarity NPC288602
0.8086 Intermediate Similarity NPC285567
0.8086 Intermediate Similarity NPC88841
0.8086 Intermediate Similarity NPC283209
0.8082 Intermediate Similarity NPC298190
0.8077 Intermediate Similarity NPC211625
0.8077 Intermediate Similarity NPC474107
0.8067 Intermediate Similarity NPC186647
0.8065 Intermediate Similarity NPC308799
0.8063 Intermediate Similarity NPC115123
0.8063 Intermediate Similarity NPC261484
0.8063 Intermediate Similarity NPC239113
0.8061 Intermediate Similarity NPC302392
0.8056 Intermediate Similarity NPC474737
0.8052 Intermediate Similarity NPC260152
0.805 Intermediate Similarity NPC477691
0.8042 Intermediate Similarity NPC179354
0.8042 Intermediate Similarity NPC75432
0.8041 Intermediate Similarity NPC470406
0.8038 Intermediate Similarity NPC246164
0.8038 Intermediate Similarity NPC118332
0.8037 Intermediate Similarity NPC56358
0.8037 Intermediate Similarity NPC61967
0.8037 Intermediate Similarity NPC126984
0.8037 Intermediate Similarity NPC27541
0.8037 Intermediate Similarity NPC62692
0.8028 Intermediate Similarity NPC16922
0.8026 Intermediate Similarity NPC472523
0.8025 Intermediate Similarity NPC21046
0.8025 Intermediate Similarity NPC88445
0.8025 Intermediate Similarity NPC18986
0.8025 Intermediate Similarity NPC300983
0.8014 Intermediate Similarity NPC57552
0.8013 Intermediate Similarity NPC74539
0.8013 Intermediate Similarity NPC304443
0.8012 Intermediate Similarity NPC96342
0.8012 Intermediate Similarity NPC212967
0.8012 Intermediate Similarity NPC246647
0.8012 Intermediate Similarity NPC143328
0.8012 Intermediate Similarity NPC67197
0.8012 Intermediate Similarity NPC164110
0.8012 Intermediate Similarity NPC270044
0.8 Intermediate Similarity NPC471670
0.8 Intermediate Similarity NPC310830
0.8 Intermediate Similarity NPC125465
0.8 Intermediate Similarity NPC428300
0.8 Intermediate Similarity NPC471923
0.8 Intermediate Similarity NPC64157
0.8 Intermediate Similarity NPC470742
0.8 Intermediate Similarity NPC310043
0.8 Intermediate Similarity NPC278832
0.8 Intermediate Similarity NPC262198
0.7988 Intermediate Similarity NPC277618
0.7988 Intermediate Similarity NPC121995
0.7987 Intermediate Similarity NPC1249
0.7987 Intermediate Similarity NPC38361
0.7987 Intermediate Similarity NPC130015
0.7987 Intermediate Similarity NPC476944
0.7987 Intermediate Similarity NPC265793
0.7987 Intermediate Similarity NPC84479
0.7987 Intermediate Similarity NPC251865
0.7987 Intermediate Similarity NPC27615
0.7986 Intermediate Similarity NPC74612
0.7986 Intermediate Similarity NPC470858
0.7975 Intermediate Similarity NPC469889
0.7975 Intermediate Similarity NPC473466
0.7975 Intermediate Similarity NPC140133

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC95526 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
0.8503 High Similarity NPD2343 Clinical (unspecified phase)
0.8301 Intermediate Similarity NPD6273 Approved
0.8255 Intermediate Similarity NPD2346 Discontinued
0.8212 Intermediate Similarity NPD7003 Approved
0.8141 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.8113 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD2979 Phase 3
0.8027 Intermediate Similarity NPD8032 Phase 2
0.8013 Intermediate Similarity NPD920 Approved
0.8 Intermediate Similarity NPD2799 Discontinued
0.7958 Intermediate Similarity NPD1281 Approved
0.7911 Intermediate Similarity NPD3226 Approved
0.7829 Intermediate Similarity NPD2438 Suspended
0.7799 Intermediate Similarity NPD7458 Discontinued
0.7793 Intermediate Similarity NPD1283 Approved
0.7792 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD6559 Discontinued
0.7746 Intermediate Similarity NPD1651 Approved
0.7746 Intermediate Similarity NPD5691 Approved
0.7742 Intermediate Similarity NPD4628 Phase 3
0.7718 Intermediate Similarity NPD2313 Discontinued
0.7716 Intermediate Similarity NPD7819 Suspended
0.7712 Intermediate Similarity NPD2531 Phase 2
0.7692 Intermediate Similarity NPD5844 Phase 1
0.7662 Intermediate Similarity NPD1471 Phase 3
0.7658 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7655 Intermediate Similarity NPD3972 Approved
0.7647 Intermediate Similarity NPD3748 Approved
0.7643 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD4140 Approved
0.7597 Intermediate Similarity NPD2935 Discontinued
0.759 Intermediate Similarity NPD5494 Approved
0.7586 Intermediate Similarity NPD1611 Approved
0.7569 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD1876 Approved
0.7548 Intermediate Similarity NPD2344 Approved
0.7545 Intermediate Similarity NPD6959 Discontinued
0.7543 Intermediate Similarity NPD8434 Phase 2
0.753 Intermediate Similarity NPD919 Approved
0.75 Intermediate Similarity NPD5585 Approved
0.75 Intermediate Similarity NPD4307 Phase 2
0.7483 Intermediate Similarity NPD5327 Phase 3
0.7471 Intermediate Similarity NPD7473 Discontinued
0.747 Intermediate Similarity NPD3749 Approved
0.7467 Intermediate Similarity NPD6832 Phase 2
0.7466 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD1243 Approved
0.7451 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD6355 Discontinued
0.7448 Intermediate Similarity NPD4626 Approved
0.744 Intermediate Similarity NPD8127 Discontinued
0.7438 Intermediate Similarity NPD2534 Approved
0.7438 Intermediate Similarity NPD2533 Approved
0.7438 Intermediate Similarity NPD2532 Approved
0.7425 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD6599 Discontinued
0.7417 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD3750 Approved
0.7396 Intermediate Similarity NPD7229 Phase 3
0.7396 Intermediate Similarity NPD6808 Phase 2
0.7396 Intermediate Similarity NPD6232 Discontinued
0.7394 Intermediate Similarity NPD5760 Phase 2
0.7394 Intermediate Similarity NPD5761 Phase 2
0.7386 Intermediate Similarity NPD4060 Phase 1
0.7383 Intermediate Similarity NPD3267 Approved
0.7383 Intermediate Similarity NPD3266 Approved
0.7372 Intermediate Similarity NPD2796 Approved
0.7372 Intermediate Similarity NPD4476 Approved
0.7372 Intermediate Similarity NPD4477 Approved
0.7371 Intermediate Similarity NPD8313 Approved
0.7371 Intermediate Similarity NPD8312 Approved
0.7368 Intermediate Similarity NPD6798 Discontinued
0.7368 Intermediate Similarity NPD3764 Approved
0.7358 Intermediate Similarity NPD2309 Approved
0.7356 Intermediate Similarity NPD6765 Approved
0.7356 Intermediate Similarity NPD6764 Approved
0.7337 Intermediate Similarity NPD1247 Approved
0.7333 Intermediate Similarity NPD2798 Approved
0.7326 Intermediate Similarity NPD7177 Discontinued
0.7308 Intermediate Similarity NPD4308 Phase 3
0.7305 Intermediate Similarity NPD7768 Phase 2
0.7296 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD4110 Phase 3
0.7289 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7411 Suspended
0.7267 Intermediate Similarity NPD2797 Approved
0.7263 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD3268 Approved
0.7255 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD4359 Approved
0.7229 Intermediate Similarity NPD37 Approved
0.7229 Intermediate Similarity NPD6801 Discontinued
0.7229 Intermediate Similarity NPD6280 Approved
0.7229 Intermediate Similarity NPD6279 Approved
0.7226 Intermediate Similarity NPD4622 Approved
0.7226 Intermediate Similarity NPD4618 Approved
0.7211 Intermediate Similarity NPD17 Approved
0.7208 Intermediate Similarity NPD6663 Approved
0.7207 Intermediate Similarity NPD7693 Approved
0.7203 Intermediate Similarity NPD1241 Discontinued
0.7202 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD4967 Phase 2
0.7202 Intermediate Similarity NPD4965 Approved
0.7202 Intermediate Similarity NPD4966 Approved
0.7191 Intermediate Similarity NPD6785 Approved
0.7191 Intermediate Similarity NPD6784 Approved
0.719 Intermediate Similarity NPD7008 Discontinued
0.719 Intermediate Similarity NPD7095 Approved
0.7188 Intermediate Similarity NPD8166 Discontinued
0.7186 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD5736 Approved
0.717 Intermediate Similarity NPD2897 Discontinued
0.716 Intermediate Similarity NPD7075 Discontinued
0.7152 Intermediate Similarity NPD5404 Approved
0.7152 Intermediate Similarity NPD5406 Approved
0.7152 Intermediate Similarity NPD5405 Approved
0.7152 Intermediate Similarity NPD5408 Approved
0.7152 Intermediate Similarity NPD1551 Phase 2
0.7143 Intermediate Similarity NPD3024 Approved
0.7143 Intermediate Similarity NPD3887 Approved
0.7143 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3025 Approved
0.7134 Intermediate Similarity NPD5688 Approved
0.7134 Intermediate Similarity NPD5689 Approved
0.7134 Intermediate Similarity NPD7427 Discontinued
0.7134 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD5535 Approved
0.7118 Intermediate Similarity NPD6234 Discontinued
0.7117 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD4947 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD4107 Approved
0.7097 Intermediate Similarity NPD6233 Phase 2
0.7097 Intermediate Similarity NPD4870 Approved
0.7095 Intermediate Similarity NPD1778 Approved
0.7067 Intermediate Similarity NPD1608 Approved
0.7066 Intermediate Similarity NPD6873 Phase 2
0.7055 Intermediate Similarity NPD6799 Approved
0.7052 Intermediate Similarity NPD3926 Phase 2
0.7047 Intermediate Similarity NPD3023 Approved
0.7047 Intermediate Similarity NPD3496 Discontinued
0.7047 Intermediate Similarity NPD3026 Approved
0.7041 Intermediate Similarity NPD3817 Phase 2
0.7041 Intermediate Similarity NPD5402 Approved
0.7032 Intermediate Similarity NPD7985 Registered
0.7025 Intermediate Similarity NPD7097 Phase 1
0.7019 Intermediate Similarity NPD2800 Approved
0.7007 Intermediate Similarity NPD7644 Approved
0.7006 Intermediate Similarity NPD5735 Approved
0.7006 Intermediate Similarity NPD1933 Approved
0.7 Intermediate Similarity NPD6002 Phase 3
0.7 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6004 Phase 3
0.7 Intermediate Similarity NPD5762 Approved
0.7 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6005 Phase 3
0.7 Intermediate Similarity NPD5763 Approved
0.6995 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7236 Approved
0.6994 Remote Similarity NPD7440 Discontinued
0.6993 Remote Similarity NPD1019 Discontinued
0.6982 Remote Similarity NPD8455 Phase 2
0.6982 Remote Similarity NPD1465 Phase 2
0.698 Remote Similarity NPD3019 Approved
0.6977 Remote Similarity NPD710 Clinical (unspecified phase)
0.697 Remote Similarity NPD5049 Phase 3
0.6968 Remote Similarity NPD4482 Phase 3
0.6962 Remote Similarity NPD6353 Approved
0.6957 Remote Similarity NPD1549 Phase 2
0.6957 Remote Similarity NPD970 Clinical (unspecified phase)
0.6951 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6946 Remote Similarity NPD2651 Approved
0.6946 Remote Similarity NPD2649 Approved
0.6937 Remote Similarity NPD6099 Approved
0.6937 Remote Similarity NPD6100 Approved
0.6936 Remote Similarity NPD7199 Phase 2
0.6932 Remote Similarity NPD3818 Discontinued
0.6928 Remote Similarity NPD1470 Approved
0.6928 Remote Similarity NPD1203 Approved
0.6928 Remote Similarity NPD3873 Phase 3
0.6928 Remote Similarity NPD3869 Phase 3
0.6923 Remote Similarity NPD1934 Approved
0.6923 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6844 Discontinued
0.6923 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6923 Remote Similarity NPD411 Approved
0.6918 Remote Similarity NPD5951 Approved
0.6914 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6909 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6909 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6905 Remote Similarity NPD4380 Phase 2
0.6905 Remote Similarity NPD7028 Phase 2
0.6901 Remote Similarity NPD3882 Suspended
0.6899 Remote Similarity NPD447 Suspended

Structure

External Identifiers

PubChem CID   11703693
ChEMBL   CHEMBL1096147
ZINC  

Physicochemical Properties

Molecular Weight:  384.19
ALogP:  0.6802
MLogP:  3.44
XLogP:  4.64
# Rotatable Bonds:  9
Polar Surface Area:  65.74
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  28

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
Similar NPs/Drugs