Natural Product: NPC474301

Natural Product ID:  NPC474301
Common Name:   3,4-(Methylenedioxy)Cinnamoyl Alkannin
IUPAC Name:   [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Synonyms:   3,4-(Methylenedioxy)Cinnamoyl Alkannin
Molecular Formula:   C26H22O8
Standard InCHIKey:  ZRQNGEMSRIKRHE-JOCSGSGBSA-N
Standard InCHI:  InChI=1S/C26H22O8/c1-14(2)3-8-20(16-12-19(29)24-17(27)6-7-18(28)25(24)26(16)31)34-23(30)10-5-15-4-9-21-22(11-15)33-13-32-21/h3-7,9-12,20,27-28H,8,13H2,1-2H3/b10-5+/t20-/m0/s1
Canonical SMILES:  O=C(O[C@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)CC=C(C)C)/C=C/c1ccc2c(c1)OCO2
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
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota PMID[12502328]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1531 Organism Enterococcus faecium Enterococcus faecium MIC = 50 ug/ml 21115251
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC = 50 ug/ml 22435669
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MBC > 100 ug/ml 10.6019/CHEMBL1201861
NPT165 Cell Line HeLa Homo sapiens CD50 = 1.5 ug/ml PubChem BioAssay data set
NPT1531 Organism Enterococcus faecium Enterococcus faecium MBC = 50 ug/ml 18198837
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug/ml 18183025
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 100 ug/ml 21495717
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 50 ug/ml 18989978
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug/ml 12828488
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MBC = 50 ug/ml 26110443
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MBC = 100 ug/ml 18809939
NPT65 Cell Line HepG2 Homo sapiens CD50 = 2.1 ug/ml 18519713
NPT377 Cell Line OVCAR-3 Homo sapiens CD50 = 1 ug/ml 19818612

  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 NPC474301 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
0.9012 High Similarity NPC56735
0.9012 High Similarity NPC61594
0.8957 High Similarity NPC147596
0.8944 High Similarity NPC68619
0.8839 High Similarity NPC89664
0.8839 High Similarity NPC274085
0.881 High Similarity NPC199357
0.8797 High Similarity NPC37220
0.878 High Similarity NPC116838
0.878 High Similarity NPC22130
0.878 High Similarity NPC22324
0.8774 High Similarity NPC476473
0.8765 High Similarity NPC177742
0.8727 High Similarity NPC100420
0.8712 High Similarity NPC62518
0.8712 High Similarity NPC215375
0.871 High Similarity NPC474300
0.8704 High Similarity NPC109765
0.8675 High Similarity NPC178281
0.8659 High Similarity NPC78944
0.865 High Similarity NPC202495
0.865 High Similarity NPC167595
0.8639 High Similarity NPC247964
0.8634 High Similarity NPC180388
0.8631 High Similarity NPC99613
0.8631 High Similarity NPC49487
0.8625 High Similarity NPC31132
0.8623 High Similarity NPC174734
0.8623 High Similarity NPC474042
0.8614 High Similarity NPC477689
0.8608 High Similarity NPC153620
0.8608 High Similarity NPC24257
0.8606 High Similarity NPC65746
0.8606 High Similarity NPC295009
0.8606 High Similarity NPC260640
0.8596 High Similarity NPC196771
0.8589 High Similarity NPC301897
0.8589 High Similarity NPC478223
0.8571 High Similarity NPC311912
0.8571 High Similarity NPC471180
0.8571 High Similarity NPC473094
0.8571 High Similarity NPC234331
0.8571 High Similarity NPC174486
0.8571 High Similarity NPC298847
0.8555 High Similarity NPC475996
0.8554 High Similarity NPC146837
0.8554 High Similarity NPC198796
0.8554 High Similarity NPC469575
0.8554 High Similarity NPC278329
0.8545 High Similarity NPC225624
0.8545 High Similarity NPC239818
0.8545 High Similarity NPC285973
0.8545 High Similarity NPC218471
0.8539 High Similarity NPC314020
0.8538 High Similarity NPC193377
0.8537 High Similarity NPC143328
0.8535 High Similarity NPC21873
0.8529 High Similarity NPC475825
0.8529 High Similarity NPC158226
0.8529 High Similarity NPC471181
0.8529 High Similarity NPC178737
0.8529 High Similarity NPC223375
0.8529 High Similarity NPC472386
0.8528 High Similarity NPC254163
0.8523 High Similarity NPC205721
0.8521 High Similarity NPC246274
0.8521 High Similarity NPC473095
0.8521 High Similarity NPC88557
0.8521 High Similarity NPC473096
0.8521 High Similarity NPC117911
0.8519 High Similarity NPC295646
0.8519 High Similarity NPC308555
0.8516 High Similarity NPC476477
0.8516 High Similarity NPC216312
0.8516 High Similarity NPC29771
0.8516 High Similarity NPC299405
0.8516 High Similarity NPC111422
0.8516 High Similarity NPC306835
0.8516 High Similarity NPC471602
0.8516 High Similarity NPC256463
0.8512 High Similarity NPC29160
0.8503 High Similarity NPC300984
0.8503 High Similarity NPC470178
0.8503 High Similarity NPC474350
0.8497 Intermediate Similarity NPC212290
0.8494 Intermediate Similarity NPC478222
0.8494 Intermediate Similarity NPC239890
0.8494 Intermediate Similarity NPC209411
0.8494 Intermediate Similarity NPC15212
0.8491 Intermediate Similarity NPC32058
0.8491 Intermediate Similarity NPC85734
0.8488 Intermediate Similarity NPC156635
0.8481 Intermediate Similarity NPC229787
0.848 Intermediate Similarity NPC98776
0.848 Intermediate Similarity NPC477881
0.8476 Intermediate Similarity NPC115123
0.8476 Intermediate Similarity NPC239113
0.8471 Intermediate Similarity NPC17219
0.8471 Intermediate Similarity NPC105511
0.8471 Intermediate Similarity NPC212748
0.8471 Intermediate Similarity NPC44558
0.8466 Intermediate Similarity NPC105591
0.8466 Intermediate Similarity NPC478213
0.8466 Intermediate Similarity NPC185103
0.8466 Intermediate Similarity NPC57211
0.8462 Intermediate Similarity NPC241349
0.8462 Intermediate Similarity NPC63470
0.8462 Intermediate Similarity NPC327916
0.8462 Intermediate Similarity NPC42262
0.8462 Intermediate Similarity NPC32749
0.8462 Intermediate Similarity NPC116745
0.8462 Intermediate Similarity NPC220496
0.8462 Intermediate Similarity NPC147542
0.8462 Intermediate Similarity NPC37992
0.8457 Intermediate Similarity NPC118332
0.8457 Intermediate Similarity NPC302783
0.8457 Intermediate Similarity NPC473201
0.8452 Intermediate Similarity NPC326520
0.8452 Intermediate Similarity NPC191930
0.8452 Intermediate Similarity NPC26386
0.8448 Intermediate Similarity NPC170203
0.8447 Intermediate Similarity NPC12854
0.8443 Intermediate Similarity NPC215612
0.8443 Intermediate Similarity NPC101116
0.8443 Intermediate Similarity NPC125991
0.8443 Intermediate Similarity NPC212099
0.8439 Intermediate Similarity NPC472387
0.8434 Intermediate Similarity NPC474770
0.8434 Intermediate Similarity NPC47623
0.843 Intermediate Similarity NPC68381
0.843 Intermediate Similarity NPC146803
0.843 Intermediate Similarity NPC472607
0.843 Intermediate Similarity NPC469438
0.8424 Intermediate Similarity NPC29552
0.8424 Intermediate Similarity NPC474990
0.8424 Intermediate Similarity NPC226759
0.8424 Intermediate Similarity NPC19947
0.8424 Intermediate Similarity NPC207584
0.8421 Intermediate Similarity NPC260263
0.8421 Intermediate Similarity NPC469506
0.8421 Intermediate Similarity NPC211594
0.8421 Intermediate Similarity NPC254540
0.8421 Intermediate Similarity NPC205076
0.8421 Intermediate Similarity NPC48773
0.8421 Intermediate Similarity NPC315619
0.8421 Intermediate Similarity NPC20114
0.8421 Intermediate Similarity NPC471920
0.8421 Intermediate Similarity NPC312006
0.8421 Intermediate Similarity NPC471922
0.8421 Intermediate Similarity NPC292712
0.8421 Intermediate Similarity NPC471921
0.8421 Intermediate Similarity NPC114550
0.8421 Intermediate Similarity NPC307518
0.8421 Intermediate Similarity NPC172807
0.8421 Intermediate Similarity NPC129930
0.8421 Intermediate Similarity NPC474075
0.8415 Intermediate Similarity NPC478238
0.8415 Intermediate Similarity NPC79998
0.8415 Intermediate Similarity NPC10205
0.8412 Intermediate Similarity NPC191653
0.8412 Intermediate Similarity NPC165979
0.8412 Intermediate Similarity NPC472381
0.8412 Intermediate Similarity NPC163130
0.8412 Intermediate Similarity NPC472383
0.8412 Intermediate Similarity NPC222455
0.8408 Intermediate Similarity NPC471444
0.8408 Intermediate Similarity NPC257003
0.8405 Intermediate Similarity NPC52623
0.8405 Intermediate Similarity NPC38469
0.8405 Intermediate Similarity NPC245948
0.8405 Intermediate Similarity NPC153008
0.8405 Intermediate Similarity NPC104728
0.8405 Intermediate Similarity NPC148497
0.8405 Intermediate Similarity NPC35544
0.8402 Intermediate Similarity NPC118162
0.8402 Intermediate Similarity NPC472452
0.8402 Intermediate Similarity NPC170245
0.8402 Intermediate Similarity NPC83049
0.8402 Intermediate Similarity NPC113093
0.8402 Intermediate Similarity NPC320471
0.84 Intermediate Similarity NPC182693
0.84 Intermediate Similarity NPC476203
0.8395 Intermediate Similarity NPC234152
0.8393 Intermediate Similarity NPC173729
0.8393 Intermediate Similarity NPC134047
0.8393 Intermediate Similarity NPC197168
0.8393 Intermediate Similarity NPC127415
0.8393 Intermediate Similarity NPC272750
0.8393 Intermediate Similarity NPC249181
0.8393 Intermediate Similarity NPC475985
0.8393 Intermediate Similarity NPC223006
0.8391 Intermediate Similarity NPC240887
0.8391 Intermediate Similarity NPC329161
0.8391 Intermediate Similarity NPC470091
0.8385 Intermediate Similarity NPC55327
0.8383 Intermediate Similarity NPC94155
0.8383 Intermediate Similarity NPC288149
0.8383 Intermediate Similarity NPC217950
0.8383 Intermediate Similarity NPC474187
0.8383 Intermediate Similarity NPC162668

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474301 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
0.8779 High Similarity NPD8397 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD3818 Discontinued
0.8443 Intermediate Similarity NPD6232 Discontinued
0.8405 Intermediate Similarity NPD37 Approved
0.8402 Intermediate Similarity NPD7473 Discontinued
0.8373 Intermediate Similarity NPD6234 Discontinued
0.8364 Intermediate Similarity NPD4965 Approved
0.8364 Intermediate Similarity NPD4966 Approved
0.8364 Intermediate Similarity NPD4967 Phase 2
0.8258 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8218 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8161 Intermediate Similarity NPD6559 Discontinued
0.8137 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.811 Intermediate Similarity NPD3226 Approved
0.8107 Intermediate Similarity NPD5494 Approved
0.8092 Intermediate Similarity NPD5844 Phase 1
0.8068 Intermediate Similarity NPD8313 Approved
0.8068 Intermediate Similarity NPD8312 Approved
0.8046 Intermediate Similarity NPD7074 Phase 3
0.8038 Intermediate Similarity NPD2935 Discontinued
0.8035 Intermediate Similarity NPD7228 Approved
0.8024 Intermediate Similarity NPD2801 Approved
0.7989 Intermediate Similarity NPD7054 Approved
0.7988 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD1934 Approved
0.7943 Intermediate Similarity NPD7472 Approved
0.7929 Intermediate Similarity NPD3882 Suspended
0.7917 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD7819 Suspended
0.7882 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7875 Intermediate Similarity NPD2346 Discontinued
0.787 Intermediate Similarity NPD3817 Phase 2
0.7866 Intermediate Similarity NPD2532 Approved
0.7866 Intermediate Similarity NPD2534 Approved
0.7866 Intermediate Similarity NPD2533 Approved
0.7824 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7819 Intermediate Similarity NPD7435 Discontinued
0.7809 Intermediate Similarity NPD7808 Phase 3
0.7797 Intermediate Similarity NPD6797 Phase 2
0.7778 Intermediate Similarity NPD7075 Discontinued
0.7765 Intermediate Similarity NPD5402 Approved
0.7754 Intermediate Similarity NPD6776 Approved
0.7754 Intermediate Similarity NPD6778 Approved
0.7754 Intermediate Similarity NPD6777 Approved
0.7754 Intermediate Similarity NPD6781 Approved
0.7754 Intermediate Similarity NPD6780 Approved
0.7754 Intermediate Similarity NPD6782 Approved
0.7754 Intermediate Similarity NPD6779 Approved
0.7753 Intermediate Similarity NPD7685 Pre-registration
0.7753 Intermediate Similarity NPD7251 Discontinued
0.7746 Intermediate Similarity NPD7199 Phase 2
0.7738 Intermediate Similarity NPD4380 Phase 2
0.7735 Intermediate Similarity NPD8434 Phase 2
0.7714 Intermediate Similarity NPD6166 Phase 2
0.7714 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD7458 Discontinued
0.7657 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD7240 Approved
0.764 Intermediate Similarity NPD2799 Discontinued
0.7632 Intermediate Similarity NPD7697 Approved
0.7632 Intermediate Similarity NPD7696 Phase 3
0.7632 Intermediate Similarity NPD7698 Approved
0.7622 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD3750 Approved
0.7622 Intermediate Similarity NPD4628 Phase 3
0.7602 Intermediate Similarity NPD1465 Phase 2
0.7602 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD3764 Approved
0.7592 Intermediate Similarity NPD7871 Phase 2
0.7592 Intermediate Similarity NPD7870 Phase 2
0.7584 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7579 Intermediate Similarity NPD6823 Phase 2
0.7577 Intermediate Similarity NPD7874 Approved
0.7577 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD447 Suspended
0.7562 Intermediate Similarity NPD1933 Approved
0.7561 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD6801 Discontinued
0.7543 Intermediate Similarity NPD6959 Discontinued
0.7543 Intermediate Similarity NPD8127 Discontinued
0.7541 Intermediate Similarity NPD8150 Discontinued
0.7529 Intermediate Similarity NPD7028 Phase 2
0.7528 Intermediate Similarity NPD3751 Discontinued
0.7526 Intermediate Similarity NPD8151 Discontinued
0.7515 Intermediate Similarity NPD1653 Approved
0.75 Intermediate Similarity NPD1470 Approved
0.75 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD6535 Approved
0.7487 Intermediate Similarity NPD6534 Approved
0.7485 Intermediate Similarity NPD1511 Approved
0.7485 Intermediate Similarity NPD7411 Suspended
0.7484 Intermediate Similarity NPD2313 Discontinued
0.7474 Intermediate Similarity NPD7701 Phase 2
0.7471 Intermediate Similarity NPD3749 Approved
0.746 Intermediate Similarity NPD4420 Approved
0.7458 Intermediate Similarity NPD3926 Phase 2
0.7452 Intermediate Similarity NPD2798 Approved
0.7443 Intermediate Similarity NPD1247 Approved
0.744 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD7266 Discontinued
0.7439 Intermediate Similarity NPD2344 Approved
0.7429 Intermediate Similarity NPD919 Approved
0.7427 Intermediate Similarity NPD6599 Discontinued
0.7423 Intermediate Similarity NPD1510 Phase 2
0.7414 Intermediate Similarity NPD7768 Phase 2
0.7403 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD1512 Approved
0.7396 Intermediate Similarity NPD6273 Approved
0.7394 Intermediate Similarity NPD1549 Phase 2
0.7381 Intermediate Similarity NPD6799 Approved
0.7368 Intermediate Similarity NPD7699 Phase 2
0.7368 Intermediate Similarity NPD7700 Phase 2
0.7365 Intermediate Similarity NPD6190 Approved
0.736 Intermediate Similarity NPD7801 Approved
0.736 Intermediate Similarity NPD7783 Phase 2
0.736 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD3705 Approved
0.7353 Intermediate Similarity NPD5403 Approved
0.734 Intermediate Similarity NPD6212 Phase 3
0.734 Intermediate Similarity NPD6213 Phase 3
0.734 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD3748 Approved
0.7312 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD5006 Approved
0.7306 Intermediate Similarity NPD5005 Approved
0.7305 Intermediate Similarity NPD8166 Discontinued
0.7305 Intermediate Similarity NPD7003 Approved
0.7303 Intermediate Similarity NPD5710 Approved
0.7303 Intermediate Similarity NPD5711 Approved
0.7301 Intermediate Similarity NPD1607 Approved
0.7299 Intermediate Similarity NPD8455 Phase 2
0.7284 Intermediate Similarity NPD1240 Approved
0.7273 Intermediate Similarity NPD2796 Approved
0.7273 Intermediate Similarity NPD5406 Approved
0.7273 Intermediate Similarity NPD5404 Approved
0.7273 Intermediate Similarity NPD1551 Phase 2
0.7273 Intermediate Similarity NPD5405 Approved
0.7273 Intermediate Similarity NPD5408 Approved
0.7267 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD2309 Approved
0.7244 Intermediate Similarity NPD1201 Approved
0.724 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD5401 Approved
0.7235 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD8320 Phase 1
0.7231 Intermediate Similarity NPD8319 Approved
0.7212 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD3787 Discontinued
0.7206 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD4110 Phase 3
0.7202 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD6385 Approved
0.7184 Intermediate Similarity NPD6386 Approved
0.7179 Intermediate Similarity NPD7680 Approved
0.7178 Intermediate Similarity NPD4060 Phase 1
0.7169 Intermediate Similarity NPD2438 Suspended
0.7152 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD920 Approved
0.7143 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6674 Discontinued
0.7143 Intermediate Similarity NPD6832 Phase 2
0.7143 Intermediate Similarity NPD2800 Approved
0.7136 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD230 Phase 1
0.7134 Intermediate Similarity NPD6355 Discontinued
0.7126 Intermediate Similarity NPD1471 Phase 3
0.712 Intermediate Similarity NPD5953 Discontinued
0.7113 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD1283 Approved
0.7101 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD9494 Approved
0.7081 Intermediate Similarity NPD7038 Approved
0.7081 Intermediate Similarity NPD2861 Phase 2
0.7081 Intermediate Similarity NPD7039 Approved
0.7079 Intermediate Similarity NPD7930 Approved
0.7073 Intermediate Similarity NPD2979 Phase 3
0.7073 Intermediate Similarity NPD943 Approved
0.7063 Intermediate Similarity NPD1203 Approved
0.7055 Intermediate Similarity NPD6798 Discontinued
0.7048 Intermediate Similarity NPD7097 Phase 1
0.7045 Intermediate Similarity NPD6844 Discontinued
0.7039 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD6233 Phase 2
0.7006 Intermediate Similarity NPD4626 Approved
0.7006 Intermediate Similarity NPD7033 Discontinued

Structure

External Identifiers

PubChem CID   44567155
ChEMBL   CHEMBL464882
ZINC  

Physicochemical Properties

Molecular Weight:  462.13
ALogP:  0.446
MLogP:  3.44
XLogP:  2.926
# Rotatable Bonds:  11
Polar Surface Area:  119.36
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  34

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Biological Activities  
Similar NPs/Drugs