Natural Product: NPC304443

Natural Product ID:  NPC304443
Common Name:   Isobergaptene
IUPAC Name:   5-methoxyfuro[2,3-h]chromen-2-one
Synonyms:  
Molecular Formula:   C12H8O4
Standard InCHIKey:  AJSPSRWWZBBIOR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3
Canonical SMILES:  COc1cc2occc2c2c1ccc(=O)o2
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
NPO8564 Cornicularia normoerica Species Parmeliaceae Eukaryota UNPD*
NPO10614 Pinus krempfii Species Pinaceae Eukaryota UNPD*
NPO2815 Schenkia spicata Species Gentianaceae Eukaryota UNPD*
NPO9090 Patrinia villosa Species Caprifoliaceae Eukaryota UNPD*
NPO12569 Trixis inula Species Asteraceae Eukaryota UNPD*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCM_Taiwan*
NPO25004 Heracleum yungningense Species Apiaceae Eukaryota TCM_Taiwan*
NPO7067 Stellera chamaejasme Species Thymelaeaceae Eukaryota TCM_Taiwan*
NPO9329 Acanthus montanus Species Acanthaceae Eukaryota UNPD*
NPO11015 Zanthoxylum echinocarpum Species Rutaceae Eukaryota UNPD*
NPO6521 Quercus sessilis Species Fagaceae Eukaryota UNPD*
NPO2060 Garcinia parvifolia Species Clusiaceae Eukaryota UNPD*
NPO8827 Kniphofia tuckii Species Asphodelaceae Eukaryota UNPD*
NPO12210 Hypoxylon sclerophaeum Species Xylariaceae Eukaryota UNPD*
NPO11846 Ulosa spongia Species Dictyonellidae Eukaryota UNPD*
NPO7487 Antidesma membranaceum Species Phyllanthaceae Eukaryota UNPD*
NPO13103 Radix angelicae biseratae Species Lymnaeidae Eukaryota TCMSP*
NPO16755 Saposhnikovia divaricata Species Apiaceae Eukaryota TM-MC*
NPO22273 Angelica pubescens Species Apiaceae Eukaryota TCMID*
NPO12730 Heracleum maximum Species Apiaceae Eukaryota TCMID*
NPO7067 Stellera chamaejasme Species Thymelaeaceae Eukaryota TCMID*
NPO29004 Ruta pinnata Species Rutaceae Eukaryota TCMID*
NPO25004 Heracleum yungningense Species Apiaceae Eukaryota TCMID*
NPO2392 Hansenia weberbaueriana Species Apiaceae Eukaryota TCMID*
NPO17637 Pimpinella saxifraga Species Apiaceae Eukaryota TCMID*
NPO3858 Pimpinella magna Species Apiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 > 10000 nM 8893844
NPT165 Cell Line HeLa Homo sapiens IC50 > 10000 nM 8893844
NPT762 Cell Line A-431 Homo sapiens IC50 = 7720 nM 8893844
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 22387.2 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 3548.1 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 125.9 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 2936.2 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 16511.3 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT861 Individual Protein Isocitrate dehydrogenase [NADP] cytoplasmic Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 2059.6 nM PubChem BioAssay data set
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 113.88 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 127.26 % 23571415

  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 NPC304443 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 NPC74539
0.9859 High Similarity NPC88445
0.979 High Similarity NPC191104
0.9716 High Similarity NPC246903
0.9577 High Similarity NPC208584
0.9574 High Similarity NPC166858
0.9574 High Similarity NPC51146
0.9574 High Similarity NPC313036
0.9524 High Similarity NPC278010
0.9524 High Similarity NPC250769
0.9524 High Similarity NPC295608
0.9517 High Similarity NPC155882
0.9514 High Similarity NPC266743
0.951 High Similarity NPC190572
0.9396 High Similarity NPC269495
0.9396 High Similarity NPC270044
0.9366 High Similarity NPC254010
0.9362 High Similarity NPC262635
0.9324 High Similarity NPC131725
0.9272 High Similarity NPC49009
0.9272 High Similarity NPC303210
0.9272 High Similarity NPC169
0.9272 High Similarity NPC239270
0.9272 High Similarity NPC95472
0.9252 High Similarity NPC148423
0.9252 High Similarity NPC135303
0.9211 High Similarity NPC14822
0.9178 High Similarity NPC198427
0.9161 High Similarity NPC470856
0.915 High Similarity NPC78612
0.915 High Similarity NPC234536
0.9128 High Similarity NPC130015
0.9128 High Similarity NPC38361
0.9116 High Similarity NPC306788
0.9091 High Similarity NPC472515
0.9091 High Similarity NPC179464
0.9079 High Similarity NPC33320
0.9067 High Similarity NPC41719
0.906 High Similarity NPC98028
0.906 High Similarity NPC472407
0.9021 High Similarity NPC36414
0.902 High Similarity NPC243509
0.9014 High Similarity NPC472516
0.9007 High Similarity NPC233776
0.9 High Similarity NPC263676
0.8993 High Similarity NPC472406
0.8974 High Similarity NPC210460
0.8974 High Similarity NPC193881
0.8974 High Similarity NPC155264
0.8974 High Similarity NPC67450
0.8961 High Similarity NPC216092
0.8958 High Similarity NPC136095
0.8951 High Similarity NPC253616
0.8881 High Similarity NPC29638
0.8881 High Similarity NPC268081
0.8857 High Similarity NPC472517
0.8844 High Similarity NPC17262
0.8824 High Similarity NPC247677
0.8824 High Similarity NPC160015
0.8819 High Similarity NPC103001
0.8808 High Similarity NPC116604
0.8805 High Similarity NPC144288
0.8805 High Similarity NPC281835
0.88 High Similarity NPC37226
0.88 High Similarity NPC226644
0.8794 High Similarity NPC175159
0.879 High Similarity NPC173149
0.879 High Similarity NPC179015
0.8774 High Similarity NPC260296
0.8774 High Similarity NPC115432
0.8766 High Similarity NPC296957
0.8766 High Similarity NPC260902
0.875 High Similarity NPC253872
0.875 High Similarity NPC67654
0.8718 High Similarity NPC264293
0.871 High Similarity NPC476349
0.871 High Similarity NPC476350
0.871 High Similarity NPC244750
0.8701 High Similarity NPC470625
0.8699 High Similarity NPC473209
0.8696 High Similarity NPC233956
0.8696 High Similarity NPC72455
0.8693 High Similarity NPC122365
0.8693 High Similarity NPC1477
0.8693 High Similarity NPC213608
0.8684 High Similarity NPC290671
0.8684 High Similarity NPC156244
0.8684 High Similarity NPC170169
0.8675 High Similarity NPC317492
0.8675 High Similarity NPC296030
0.8675 High Similarity NPC39929
0.8671 High Similarity NPC247743
0.8667 High Similarity NPC130581
0.8667 High Similarity NPC12148
0.8662 High Similarity NPC193998
0.8658 High Similarity NPC171656
0.8649 High Similarity NPC53192
0.8645 High Similarity NPC65504
0.8642 High Similarity NPC224165
0.8642 High Similarity NPC53917
0.8636 High Similarity NPC473193
0.8636 High Similarity NPC198490
0.8636 High Similarity NPC474542
0.8627 High Similarity NPC5871
0.8627 High Similarity NPC41326
0.8621 High Similarity NPC254741
0.8618 High Similarity NPC78335
0.8618 High Similarity NPC230713
0.8616 High Similarity NPC323137
0.8611 High Similarity NPC229128
0.8609 High Similarity NPC168085
0.8609 High Similarity NPC135325
0.8608 High Similarity NPC15819
0.8608 High Similarity NPC155640
0.8608 High Similarity NPC65846
0.8601 High Similarity NPC54503
0.8601 High Similarity NPC55147
0.8601 High Similarity NPC229646
0.86 High Similarity NPC210826
0.86 High Similarity NPC300267
0.86 High Similarity NPC51641
0.8591 High Similarity NPC225884
0.8591 High Similarity NPC302181
0.8591 High Similarity NPC184702
0.8589 High Similarity NPC325176
0.8589 High Similarity NPC107244
0.8581 High Similarity NPC297985
0.8581 High Similarity NPC19860
0.8571 High Similarity NPC472462
0.8571 High Similarity NPC51404
0.8571 High Similarity NPC137009
0.8571 High Similarity NPC183874
0.8562 High Similarity NPC332594
0.8562 High Similarity NPC38153
0.8562 High Similarity NPC320789
0.8553 High Similarity NPC221868
0.8553 High Similarity NPC37208
0.8553 High Similarity NPC259007
0.8553 High Similarity NPC164299
0.8553 High Similarity NPC178202
0.8553 High Similarity NPC204088
0.8553 High Similarity NPC329215
0.8543 High Similarity NPC17816
0.8542 High Similarity NPC292998
0.8533 High Similarity NPC230943
0.8533 High Similarity NPC155144
0.8533 High Similarity NPC98926
0.8533 High Similarity NPC294365
0.8533 High Similarity NPC179970
0.8523 High Similarity NPC162476
0.8516 High Similarity NPC279218
0.8516 High Similarity NPC148938
0.8516 High Similarity NPC108937
0.8514 High Similarity NPC28337
0.8509 High Similarity NPC41853
0.8506 High Similarity NPC271681
0.8497 Intermediate Similarity NPC474735
0.8493 Intermediate Similarity NPC161196
0.8487 Intermediate Similarity NPC272194
0.8483 Intermediate Similarity NPC66705
0.8481 Intermediate Similarity NPC304387
0.8477 Intermediate Similarity NPC470322
0.8477 Intermediate Similarity NPC154217
0.8477 Intermediate Similarity NPC473927
0.8472 Intermediate Similarity NPC182428
0.8471 Intermediate Similarity NPC40583
0.8467 Intermediate Similarity NPC76657
0.8467 Intermediate Similarity NPC470932
0.8462 Intermediate Similarity NPC321372
0.8462 Intermediate Similarity NPC475797
0.8462 Intermediate Similarity NPC474609
0.8462 Intermediate Similarity NPC13879
0.8462 Intermediate Similarity NPC469936
0.8462 Intermediate Similarity NPC78554
0.8462 Intermediate Similarity NPC474738
0.8462 Intermediate Similarity NPC129053
0.8462 Intermediate Similarity NPC109967
0.8457 Intermediate Similarity NPC120220
0.8456 Intermediate Similarity NPC22467
0.8452 Intermediate Similarity NPC186507
0.8452 Intermediate Similarity NPC473194
0.8452 Intermediate Similarity NPC235333
0.8447 Intermediate Similarity NPC167479
0.8446 Intermediate Similarity NPC473076
0.8446 Intermediate Similarity NPC37206
0.8446 Intermediate Similarity NPC11566
0.8442 Intermediate Similarity NPC115324
0.8442 Intermediate Similarity NPC318424
0.844 Intermediate Similarity NPC49852
0.844 Intermediate Similarity NPC475496
0.8438 Intermediate Similarity NPC136641
0.8438 Intermediate Similarity NPC38914
0.8435 Intermediate Similarity NPC259685
0.8428 Intermediate Similarity NPC219861
0.8425 Intermediate Similarity NPC60667
0.8425 Intermediate Similarity NPC46869
0.8421 Intermediate Similarity NPC282335
0.8421 Intermediate Similarity NPC471285
0.8421 Intermediate Similarity NPC218300
0.8418 Intermediate Similarity NPC19554

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC304443 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
1.0 High Similarity NPD920 Approved
0.9716 High Similarity NPD642 Clinical (unspecified phase)
0.9574 High Similarity NPD643 Clinical (unspecified phase)
0.9362 High Similarity NPD1243 Approved
0.9079 High Similarity NPD919 Approved
0.8718 High Similarity NPD1247 Approved
0.8493 Intermediate Similarity NPD2796 Approved
0.8291 Intermediate Similarity NPD3749 Approved
0.8289 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8269 Intermediate Similarity NPD6801 Discontinued
0.8224 Intermediate Similarity NPD6799 Approved
0.8217 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8217 Intermediate Similarity NPD7819 Suspended
0.8205 Intermediate Similarity NPD7411 Suspended
0.8176 Intermediate Similarity NPD1510 Phase 2
0.8133 Intermediate Similarity NPD1549 Phase 2
0.8121 Intermediate Similarity NPD1551 Phase 2
0.8079 Intermediate Similarity NPD2800 Approved
0.8075 Intermediate Similarity NPD5494 Approved
0.8067 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8067 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.8067 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD7075 Discontinued
0.8054 Intermediate Similarity NPD3748 Approved
0.8027 Intermediate Similarity NPD1240 Approved
0.8025 Intermediate Similarity NPD6599 Discontinued
0.8024 Intermediate Similarity NPD6559 Discontinued
0.7937 Intermediate Similarity NPD3817 Phase 2
0.7935 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD2532 Approved
0.7935 Intermediate Similarity NPD2533 Approved
0.7935 Intermediate Similarity NPD2534 Approved
0.7919 Intermediate Similarity NPD1607 Approved
0.7911 Intermediate Similarity NPD4380 Phase 2
0.7895 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD2313 Discontinued
0.7888 Intermediate Similarity NPD7768 Phase 2
0.7879 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD6832 Phase 2
0.7875 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD2344 Approved
0.7818 Intermediate Similarity NPD3926 Phase 2
0.7815 Intermediate Similarity NPD2799 Discontinued
0.7792 Intermediate Similarity NPD3750 Approved
0.7792 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD3882 Suspended
0.777 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD1511 Approved
0.774 Intermediate Similarity NPD1019 Discontinued
0.7738 Intermediate Similarity NPD7286 Phase 2
0.7733 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD5401 Approved
0.7702 Intermediate Similarity NPD1934 Approved
0.7679 Intermediate Similarity NPD3818 Discontinued
0.7658 Intermediate Similarity NPD1512 Approved
0.7654 Intermediate Similarity NPD2801 Approved
0.7651 Intermediate Similarity NPD1296 Phase 2
0.7647 Intermediate Similarity NPD5953 Discontinued
0.7647 Intermediate Similarity NPD2935 Discontinued
0.7628 Intermediate Similarity NPD2309 Approved
0.7625 Intermediate Similarity NPD3226 Approved
0.761 Intermediate Similarity NPD5403 Approved
0.7607 Intermediate Similarity NPD5402 Approved
0.7597 Intermediate Similarity NPD1471 Phase 3
0.759 Intermediate Similarity NPD6959 Discontinued
0.7586 Intermediate Similarity NPD9717 Approved
0.7551 Intermediate Similarity NPD1203 Approved
0.7545 Intermediate Similarity NPD6808 Phase 2
0.7545 Intermediate Similarity NPD6232 Discontinued
0.7529 Intermediate Similarity NPD5844 Phase 1
0.7529 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD7473 Discontinued
0.75 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD2346 Discontinued
0.7455 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD1465 Phase 2
0.7434 Intermediate Similarity NPD4307 Phase 2
0.7432 Intermediate Similarity NPD3266 Approved
0.7432 Intermediate Similarity NPD3267 Approved
0.7397 Intermediate Similarity NPD422 Phase 1
0.7389 Intermediate Similarity NPD2654 Approved
0.7386 Intermediate Similarity NPD447 Suspended
0.7378 Intermediate Similarity NPD6280 Approved
0.7378 Intermediate Similarity NPD6279 Approved
0.7365 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD4628 Phase 3
0.7338 Intermediate Similarity NPD6651 Approved
0.7337 Intermediate Similarity NPD5710 Approved
0.7337 Intermediate Similarity NPD7229 Phase 3
0.7337 Intermediate Similarity NPD5711 Approved
0.7303 Intermediate Similarity NPD4287 Approved
0.7288 Intermediate Similarity NPD8434 Phase 2
0.7285 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD1729 Discontinued
0.7273 Intermediate Similarity NPD230 Phase 1
0.7273 Intermediate Similarity NPD1933 Approved
0.726 Intermediate Similarity NPD17 Approved
0.7257 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD1241 Discontinued
0.7251 Intermediate Similarity NPD6166 Phase 2
0.7251 Intermediate Similarity NPD2403 Approved
0.7251 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD7033 Discontinued
0.7244 Intermediate Similarity NPD4308 Phase 3
0.7225 Intermediate Similarity NPD7054 Approved
0.7212 Intermediate Similarity NPD5889 Approved
0.7212 Intermediate Similarity NPD5890 Approved
0.719 Intermediate Similarity NPD411 Approved
0.719 Intermediate Similarity NPD3268 Approved
0.7184 Intermediate Similarity NPD7472 Approved
0.7184 Intermediate Similarity NPD7074 Phase 3
0.7161 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD5124 Phase 1
0.7152 Intermediate Similarity NPD2798 Approved
0.7143 Intermediate Similarity NPD6797 Phase 2
0.7134 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD9545 Approved
0.7114 Intermediate Similarity NPD1608 Approved
0.7108 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD7251 Discontinued
0.7097 Intermediate Similarity NPD943 Approved
0.7086 Intermediate Similarity NPD2797 Approved
0.7083 Intermediate Similarity NPD4288 Approved
0.7083 Intermediate Similarity NPD2296 Approved
0.7078 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD7808 Phase 3
0.7052 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD6585 Discontinued
0.7045 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD5760 Phase 2
0.7024 Intermediate Similarity NPD5761 Phase 2
0.702 Intermediate Similarity NPD3225 Approved
0.7019 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3972 Approved
0.6994 Remote Similarity NPD5242 Approved
0.6986 Remote Similarity NPD9493 Approved
0.6975 Remote Similarity NPD3887 Approved
0.6974 Remote Similarity NPD1164 Approved
0.6973 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6968 Remote Similarity NPD3764 Approved
0.6957 Remote Similarity NPD1652 Phase 2
0.6951 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6937 Remote Similarity NPD6004 Phase 3
0.6937 Remote Similarity NPD2353 Approved
0.6937 Remote Similarity NPD6002 Phase 3
0.6937 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6937 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6937 Remote Similarity NPD6005 Phase 3
0.6937 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6933 Remote Similarity NPD1281 Approved
0.6919 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6919 Remote Similarity NPD4361 Phase 2
0.6908 Remote Similarity NPD1876 Approved
0.6892 Remote Similarity NPD1548 Phase 1
0.6886 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6886 Remote Similarity NPD7458 Discontinued
0.6882 Remote Similarity NPD5353 Approved
0.6879 Remote Similarity NPD7199 Phase 2
0.6879 Remote Similarity NPD2979 Phase 3
0.6865 Remote Similarity NPD4360 Phase 2
0.6865 Remote Similarity NPD4363 Phase 3
0.6859 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6835 Remote Similarity NPD6355 Discontinued
0.6831 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6821 Remote Similarity NPD1611 Approved
0.6821 Remote Similarity NPD1610 Phase 2
0.6816 Remote Similarity NPD6104 Discontinued
0.681 Remote Similarity NPD7003 Approved
0.6809 Remote Similarity NPD9697 Approved
0.6807 Remote Similarity NPD6273 Approved
0.6805 Remote Similarity NPD6386 Approved
0.6805 Remote Similarity NPD6385 Approved
0.68 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1283 Approved
0.679 Remote Similarity NPD2424 Discontinued
0.6788 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7390 Discontinued
0.6784 Remote Similarity NPD5616 Clinical (unspecified phase)
0.678 Remote Similarity NPD3751 Discontinued
0.6772 Remote Similarity NPD3142 Approved
0.6772 Remote Similarity NPD3140 Approved
0.677 Remote Similarity NPD4476 Approved
0.677 Remote Similarity NPD4477 Approved
0.6768 Remote Similarity NPD2354 Approved
0.6765 Remote Similarity NPD37 Approved
0.6752 Remote Similarity NPD6798 Discontinued
0.6744 Remote Similarity NPD4967 Phase 2
0.6744 Remote Similarity NPD4965 Approved
0.6744 Remote Similarity NPD4966 Approved
0.674 Remote Similarity NPD8313 Approved
0.674 Remote Similarity NPD8312 Approved
0.6733 Remote Similarity NPD5691 Approved

Structure

External Identifiers

PubChem CID   68082
ChEMBL   CHEMBL141690
ZINC  

Physicochemical Properties

Molecular Weight:  216.04
ALogP:  0.0641
MLogP:  2.34
XLogP:  1.69
# Rotatable Bonds:  2
Polar Surface Area:  48.67
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  16

Download Data

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Biological Activities  
Similar NPs/Drugs