Natural Product: NPC476337

Natural Product ID:  NPC476337
Common Name:   Cinerin B
IUPAC Name:   (1S,5S,6R,7R,8S)-8-hydroxy-5-methoxy-7-(7-methoxy-1,3-benzodioxol-5-yl)-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one
Synonyms:  
Molecular Formula:   C21H24O6
Standard InCHIKey:  DMQHLPFSYZSVNQ-RFZQOIHJSA-N
Standard InCHI:  InChI=1S/C21H24O6/c1-5-6-12-9-21(25-4)11(2)16(17(18(12)22)20(21)23)13-7-14(24-3)19-15(8-13)26-10-27-19/h5,7-9,11,16-17,20,23H,1,6,10H2,2-4H3/t11-,16+,17-,20+,21-/m1/s1
Canonical SMILES:  C=CCC1=C[C@@]2(OC)[C@@H]([C@H]([C@H](C1=O)[C@@H]2O)c1cc(OC)c2c(c1)OCO2)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
NPO19526 Pleurothyrium cinereum Species Lauraceae Eukaryota Leaves PMID[19880317]
NPO26326 Ocotea macrophylla Species Lauraceae Eukaryota Leaves PMID[19880317]
NPO27964 Nectandra amazonum Species Lauraceae Eukaryota Leaves PMID[19880317]
NPO19526 Pleurothyrium cinereum Species Lauraceae Eukaryota leaves PMID[19548690]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 215000 nM 23985009
NPT2 Others Unspecified IC50 = 42800 nM PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus GI < 30 % 10425119
NPT175 Organism Enterococcus faecalis Enterococcus faecalis GI < 30 % 16643040
NPT2 Others Unspecified Ratio IC50 = 0.151 8496706
NPT2 Others Unspecified Inhibition = 73.3 % 21419530
NPT2 Others Unspecified IC50 = 1510 nM 24012378
NPT1117 Organism Salmonella enterica subsp. enterica Salmonella enterica subsp. enterica GI < 30 % 24937209
NPT1117 Organism Salmonella enterica subsp. enterica Salmonella enterica subsp. enterica GI < 30 % 25402632
NPT19 Organism Escherichia coli Escherichia coli GI < 30 % 12570385
NPT1117 Organism Salmonella enterica subsp. enterica Salmonella enterica subsp. enterica GI < 30 % 12113807
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 32500 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified IC50 > 999000 nM DrugMatrix in vitro pharmacology data
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis GI = 19.5 % DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 1500 nM DrugMatrix in vitro pharmacology data
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis GI = 13.9 % DrugMatrix in vitro pharmacology data
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis GI = 20.9 % DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 146000 nM 17223562

  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 NPC476337 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
0.9679 High Similarity NPC476277
0.9669 High Similarity NPC476364
0.9536 High Similarity NPC476335
0.9241 High Similarity NPC476244
0.9231 High Similarity NPC476340
0.9205 High Similarity NPC476359
0.9205 High Similarity NPC476338
0.9085 High Similarity NPC472567
0.9051 High Similarity NPC472565
0.8981 High Similarity NPC476363
0.8968 High Similarity NPC163002
0.8954 High Similarity NPC476336
0.879 High Similarity NPC28724
0.8645 High Similarity NPC476362
0.8636 High Similarity NPC15743
0.8631 High Similarity NPC107739
0.858 High Similarity NPC23593
0.8562 High Similarity NPC51681
0.8544 High Similarity NPC12854
0.8526 High Similarity NPC472560
0.8491 Intermediate Similarity NPC62354
0.848 Intermediate Similarity NPC236089
0.8471 Intermediate Similarity NPC263955
0.8466 Intermediate Similarity NPC475095
0.8457 Intermediate Similarity NPC71385
0.8457 Intermediate Similarity NPC230670
0.8452 Intermediate Similarity NPC472564
0.8447 Intermediate Similarity NPC25127
0.8438 Intermediate Similarity NPC151425
0.8438 Intermediate Similarity NPC56184
0.8434 Intermediate Similarity NPC475738
0.8424 Intermediate Similarity NPC76687
0.8421 Intermediate Similarity NPC29587
0.8409 Intermediate Similarity NPC112708
0.8405 Intermediate Similarity NPC220462
0.8373 Intermediate Similarity NPC469475
0.8373 Intermediate Similarity NPC469518
0.8365 Intermediate Similarity NPC474903
0.8365 Intermediate Similarity NPC477698
0.8362 Intermediate Similarity NPC473711
0.8354 Intermediate Similarity NPC76211
0.8354 Intermediate Similarity NPC179914
0.8333 Intermediate Similarity NPC136757
0.8333 Intermediate Similarity NPC287504
0.8313 Intermediate Similarity NPC475170
0.8313 Intermediate Similarity NPC206815
0.8303 Intermediate Similarity NPC474936
0.8294 Intermediate Similarity NPC470685
0.8293 Intermediate Similarity NPC474990
0.8291 Intermediate Similarity NPC30890
0.8286 Intermediate Similarity NPC96194
0.8286 Intermediate Similarity NPC299855
0.8269 Intermediate Similarity NPC104956
0.8263 Intermediate Similarity NPC475865
0.8261 Intermediate Similarity NPC475379
0.8261 Intermediate Similarity NPC164082
0.8261 Intermediate Similarity NPC477700
0.8261 Intermediate Similarity NPC234152
0.8261 Intermediate Similarity NPC32079
0.825 Intermediate Similarity NPC216223
0.825 Intermediate Similarity NPC145569
0.8247 Intermediate Similarity NPC166184
0.8239 Intermediate Similarity NPC189704
0.8235 Intermediate Similarity NPC212748
0.8228 Intermediate Similarity NPC327052
0.821 Intermediate Similarity NPC477699
0.8205 Intermediate Similarity NPC476334
0.8204 Intermediate Similarity NPC469512
0.8204 Intermediate Similarity NPC476011
0.8204 Intermediate Similarity NPC125991
0.8199 Intermediate Similarity NPC177830
0.8193 Intermediate Similarity NPC239818
0.8193 Intermediate Similarity NPC218471
0.8192 Intermediate Similarity NPC475121
0.8192 Intermediate Similarity NPC476067
0.8187 Intermediate Similarity NPC469506
0.8182 Intermediate Similarity NPC475663
0.8182 Intermediate Similarity NPC286919
0.8176 Intermediate Similarity NPC224687
0.8176 Intermediate Similarity NPC296575
0.8171 Intermediate Similarity NPC473883
0.8171 Intermediate Similarity NPC475484
0.8171 Intermediate Similarity NPC267242
0.817 Intermediate Similarity NPC145769
0.8166 Intermediate Similarity NPC301910
0.8166 Intermediate Similarity NPC130730
0.8165 Intermediate Similarity NPC475000
0.816 Intermediate Similarity NPC308555
0.816 Intermediate Similarity NPC327225
0.816 Intermediate Similarity NPC35544
0.816 Intermediate Similarity NPC104728
0.8155 Intermediate Similarity NPC471286
0.8153 Intermediate Similarity NPC176586
0.8153 Intermediate Similarity NPC210354
0.815 Intermediate Similarity NPC156635
0.8144 Intermediate Similarity NPC239890
0.8144 Intermediate Similarity NPC295009
0.8144 Intermediate Similarity NPC260640
0.8144 Intermediate Similarity NPC209411
0.8144 Intermediate Similarity NPC94155
0.8137 Intermediate Similarity NPC477695
0.8137 Intermediate Similarity NPC668
0.8137 Intermediate Similarity NPC174512
0.8137 Intermediate Similarity NPC474965
0.8137 Intermediate Similarity NPC293757
0.8133 Intermediate Similarity NPC469384
0.8133 Intermediate Similarity NPC215375
0.8133 Intermediate Similarity NPC62518
0.8133 Intermediate Similarity NPC209473
0.8129 Intermediate Similarity NPC477883
0.8125 Intermediate Similarity NPC24257
0.8125 Intermediate Similarity NPC25496
0.8125 Intermediate Similarity NPC30720
0.8125 Intermediate Similarity NPC153620
0.8118 Intermediate Similarity NPC471180
0.8113 Intermediate Similarity NPC474158
0.811 Intermediate Similarity NPC60084
0.811 Intermediate Similarity NPC478213
0.8107 Intermediate Similarity NPC180586
0.8095 Intermediate Similarity NPC41009
0.8084 Intermediate Similarity NPC474770
0.8084 Intermediate Similarity NPC225624
0.8084 Intermediate Similarity NPC285973
0.8084 Intermediate Similarity NPC73422
0.8084 Intermediate Similarity NPC310399
0.8081 Intermediate Similarity NPC223375
0.8081 Intermediate Similarity NPC471181
0.8081 Intermediate Similarity NPC475825
0.8081 Intermediate Similarity NPC235575
0.8081 Intermediate Similarity NPC178737
0.8081 Intermediate Similarity NPC254071
0.8081 Intermediate Similarity NPC222665
0.8081 Intermediate Similarity NPC271755
0.8081 Intermediate Similarity NPC149502
0.8075 Intermediate Similarity NPC262804
0.8075 Intermediate Similarity NPC40654
0.8075 Intermediate Similarity NPC304821
0.8072 Intermediate Similarity NPC310206
0.8072 Intermediate Similarity NPC167595
0.807 Intermediate Similarity NPC21956
0.8068 Intermediate Similarity NPC473205
0.8068 Intermediate Similarity NPC473776
0.8063 Intermediate Similarity NPC189054
0.8063 Intermediate Similarity NPC193779
0.8063 Intermediate Similarity NPC212697
0.8061 Intermediate Similarity NPC164152
0.8061 Intermediate Similarity NPC254163
0.8061 Intermediate Similarity NPC478238
0.8059 Intermediate Similarity NPC113093
0.8059 Intermediate Similarity NPC173292
0.8059 Intermediate Similarity NPC282551
0.8059 Intermediate Similarity NPC119589
0.8056 Intermediate Similarity NPC475299
0.805 Intermediate Similarity NPC177644
0.805 Intermediate Similarity NPC50696
0.805 Intermediate Similarity NPC27159
0.805 Intermediate Similarity NPC46161
0.805 Intermediate Similarity NPC239608
0.805 Intermediate Similarity NPC191158
0.805 Intermediate Similarity NPC46880
0.8049 Intermediate Similarity NPC245948
0.8049 Intermediate Similarity NPC148497
0.8049 Intermediate Similarity NPC68882
0.8049 Intermediate Similarity NPC153008
0.8049 Intermediate Similarity NPC473236
0.8047 Intermediate Similarity NPC124038
0.8038 Intermediate Similarity NPC46180
0.8038 Intermediate Similarity NPC151423
0.8038 Intermediate Similarity NPC40237
0.8037 Intermediate Similarity NPC472279
0.8036 Intermediate Similarity NPC90336
0.8036 Intermediate Similarity NPC34376
0.8035 Intermediate Similarity NPC195972
0.8035 Intermediate Similarity NPC477881
0.8026 Intermediate Similarity NPC477694
0.8026 Intermediate Similarity NPC477705
0.8025 Intermediate Similarity NPC470855
0.8025 Intermediate Similarity NPC203351
0.8025 Intermediate Similarity NPC125570
0.8025 Intermediate Similarity NPC4796
0.8024 Intermediate Similarity NPC477410
0.8024 Intermediate Similarity NPC113055
0.8024 Intermediate Similarity NPC329743
0.8012 Intermediate Similarity NPC475378
0.8012 Intermediate Similarity NPC155063
0.8012 Intermediate Similarity NPC135345
0.8012 Intermediate Similarity NPC237946
0.8012 Intermediate Similarity NPC32373
0.8012 Intermediate Similarity NPC474948
0.8012 Intermediate Similarity NPC189730
0.8012 Intermediate Similarity NPC88345
0.8012 Intermediate Similarity NPC42230
0.8 Intermediate Similarity NPC30009
0.8 Intermediate Similarity NPC300053
0.8 Intermediate Similarity NPC57211
0.8 Intermediate Similarity NPC103197
0.8 Intermediate Similarity NPC165720
0.8 Intermediate Similarity NPC67302
0.7989 Intermediate Similarity NPC469354
0.7989 Intermediate Similarity NPC469601

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476337 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
0.8253 Intermediate Similarity NPD7199 Phase 2
0.8148 Intermediate Similarity NPD7028 Phase 2
0.8118 Intermediate Similarity NPD3818 Discontinued
0.8049 Intermediate Similarity NPD37 Approved
0.8047 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD4967 Phase 2
0.8012 Intermediate Similarity NPD4966 Approved
0.8012 Intermediate Similarity NPD4965 Approved
0.7963 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD7685 Pre-registration
0.7917 Intermediate Similarity NPD6234 Discontinued
0.7853 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD3882 Suspended
0.7778 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD5494 Approved
0.7714 Intermediate Similarity NPD7074 Phase 3
0.7701 Intermediate Similarity NPD7228 Approved
0.7657 Intermediate Similarity NPD7054 Approved
0.7619 Intermediate Similarity NPD1934 Approved
0.7614 Intermediate Similarity NPD7472 Approved
0.7574 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD7240 Approved
0.7486 Intermediate Similarity NPD7808 Phase 3
0.7486 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD6797 Phase 2
0.7471 Intermediate Similarity NPD2801 Approved
0.7443 Intermediate Similarity NPD7473 Discontinued
0.743 Intermediate Similarity NPD7251 Discontinued
0.743 Intermediate Similarity NPD6559 Discontinued
0.7427 Intermediate Similarity NPD3817 Phase 2
0.7401 Intermediate Similarity NPD3751 Discontinued
0.7396 Intermediate Similarity NPD4380 Phase 2
0.7389 Intermediate Similarity NPD3027 Phase 3
0.7386 Intermediate Similarity NPD6166 Phase 2
0.7386 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD6232 Discontinued
0.7368 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD919 Approved
0.7283 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3787 Discontinued
0.7273 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD7819 Suspended
0.7263 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD5844 Phase 1
0.7246 Intermediate Similarity NPD6799 Approved
0.7241 Intermediate Similarity NPD7075 Discontinued
0.7232 Intermediate Similarity NPD3926 Phase 2
0.7216 Intermediate Similarity NPD8127 Discontinued
0.7216 Intermediate Similarity NPD1247 Approved
0.7213 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD6801 Discontinued
0.7205 Intermediate Similarity NPD230 Phase 1
0.7202 Intermediate Similarity NPD2532 Approved
0.7202 Intermediate Similarity NPD2533 Approved
0.7202 Intermediate Similarity NPD2534 Approved
0.7197 Intermediate Similarity NPD5647 Approved
0.7193 Intermediate Similarity NPD6599 Discontinued
0.7178 Intermediate Similarity NPD1510 Phase 2
0.7176 Intermediate Similarity NPD1653 Approved
0.7169 Intermediate Similarity NPD4628 Phase 3
0.7168 Intermediate Similarity NPD5761 Phase 2
0.7168 Intermediate Similarity NPD5760 Phase 2
0.7152 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1240 Approved
0.7143 Intermediate Similarity NPD1511 Approved
0.7134 Intermediate Similarity NPD2796 Approved
0.7126 Intermediate Similarity NPD6190 Approved
0.7111 Intermediate Similarity NPD7799 Discontinued
0.7097 Intermediate Similarity NPD3705 Approved
0.7091 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD6002 Phase 3
0.7091 Intermediate Similarity NPD6004 Phase 3
0.7091 Intermediate Similarity NPD6005 Phase 3
0.7091 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD4110 Phase 3
0.7066 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1512 Approved
0.7059 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD1607 Approved
0.7048 Intermediate Similarity NPD1549 Phase 2
0.7044 Intermediate Similarity NPD9494 Approved
0.7043 Intermediate Similarity NPD8434 Phase 2
0.7037 Intermediate Similarity NPD943 Approved
0.7037 Intermediate Similarity NPD3620 Phase 2
0.7037 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD5353 Approved
0.7029 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD1357 Approved
0.7006 Intermediate Similarity NPD2800 Approved
0.7006 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.6995 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6988 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6988 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6988 Remote Similarity NPD5762 Approved
0.6988 Remote Similarity NPD5763 Approved
0.6959 Remote Similarity NPD6273 Approved
0.6954 Remote Similarity NPD7411 Suspended
0.6951 Remote Similarity NPD6653 Approved
0.6944 Remote Similarity NPD5242 Approved
0.6943 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6941 Remote Similarity NPD4357 Discontinued
0.6936 Remote Similarity NPD7458 Discontinued
0.6932 Remote Similarity NPD5402 Approved
0.6919 Remote Similarity NPD920 Approved
0.6901 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6895 Remote Similarity NPD7296 Approved
0.689 Remote Similarity NPD6355 Discontinued
0.689 Remote Similarity NPD5735 Approved
0.6888 Remote Similarity NPD7680 Approved
0.6886 Remote Similarity NPD7266 Discontinued
0.6883 Remote Similarity NPD5536 Phase 2
0.6875 Remote Similarity NPD1465 Phase 2
0.6867 Remote Similarity NPD7033 Discontinued
0.6865 Remote Similarity NPD6764 Approved
0.6865 Remote Similarity NPD6765 Approved
0.6854 Remote Similarity NPD3749 Approved
0.6848 Remote Similarity NPD6651 Approved
0.6845 Remote Similarity NPD2424 Discontinued
0.6829 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6829 Remote Similarity NPD1613 Approved
0.6829 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6826 Remote Similarity NPD6100 Approved
0.6826 Remote Similarity NPD6099 Approved
0.6826 Remote Similarity NPD2935 Discontinued
0.6821 Remote Similarity NPD6776 Approved
0.6821 Remote Similarity NPD6777 Approved
0.6821 Remote Similarity NPD6782 Approved
0.6821 Remote Similarity NPD6781 Approved
0.6821 Remote Similarity NPD6780 Approved
0.6821 Remote Similarity NPD5403 Approved
0.6821 Remote Similarity NPD6778 Approved
0.6821 Remote Similarity NPD6779 Approved
0.6805 Remote Similarity NPD1243 Approved
0.6805 Remote Similarity NPD6674 Discontinued
0.6802 Remote Similarity NPD5401 Approved
0.6802 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6802 Remote Similarity NPD642 Clinical (unspecified phase)
0.6796 Remote Similarity NPD7229 Phase 3
0.6791 Remote Similarity NPD8313 Approved
0.6791 Remote Similarity NPD8312 Approved
0.6788 Remote Similarity NPD447 Suspended
0.6784 Remote Similarity NPD643 Clinical (unspecified phase)
0.677 Remote Similarity NPD2798 Approved
0.6766 Remote Similarity NPD2799 Discontinued
0.6766 Remote Similarity NPD651 Clinical (unspecified phase)
0.6765 Remote Similarity NPD8166 Discontinued
0.6765 Remote Similarity NPD3750 Approved
0.675 Remote Similarity NPD1876 Approved
0.6742 Remote Similarity NPD5978 Approved
0.6742 Remote Similarity NPD5977 Approved
0.674 Remote Similarity NPD6959 Discontinued
0.6732 Remote Similarity NPD5283 Phase 1
0.673 Remote Similarity NPD1608 Approved
0.6727 Remote Similarity NPD4140 Approved
0.6721 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6721 Remote Similarity NPD2403 Approved
0.672 Remote Similarity NPD6785 Approved
0.672 Remote Similarity NPD6784 Approved
0.6717 Remote Similarity NPD7497 Discontinued
0.6717 Remote Similarity NPD7435 Discontinued
0.6716 Remote Similarity NPD8151 Discontinued
0.6706 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6704 Remote Similarity NPD7768 Phase 2
0.6703 Remote Similarity NPD5710 Approved
0.6703 Remote Similarity NPD5711 Approved
0.6687 Remote Similarity NPD1933 Approved
0.6687 Remote Similarity NPD2983 Phase 2
0.6687 Remote Similarity NPD5124 Phase 1
0.6687 Remote Similarity NPD2982 Phase 2
0.6687 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6685 Remote Similarity NPD8455 Phase 2
0.6667 Remote Similarity NPD3748 Approved
0.6667 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6385 Approved
0.6667 Remote Similarity NPD5005 Approved
0.6667 Remote Similarity NPD5006 Approved
0.6667 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6386 Approved
0.6649 Remote Similarity NPD6843 Phase 3
0.6649 Remote Similarity NPD6842 Approved
0.6649 Remote Similarity NPD6841 Approved
0.6649 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6634 Remote Similarity NPD7930 Approved
0.6633 Remote Similarity NPD7698 Approved
0.6633 Remote Similarity NPD7697 Approved
0.6633 Remote Similarity NPD7696 Phase 3
0.663 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6627 Remote Similarity NPD5712 Approved
0.6626 Remote Similarity NPD3018 Phase 2
0.6625 Remote Similarity NPD9269 Phase 2
0.6625 Remote Similarity NPD2981 Phase 2
0.6612 Remote Similarity NPD7315 Approved
0.6608 Remote Similarity NPD2654 Approved

Structure

External Identifiers

PubChem CID   45487095
ChEMBL   CHEMBL570981
ZINC  

Physicochemical Properties

Molecular Weight:  372.16
ALogP:  -0.307
MLogP:  3.11
XLogP:  1.461
# Rotatable Bonds:  9
Polar Surface Area:  74.22
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  27

Download Data

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Biological Activities  
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