Natural Product: NPC254588

Natural Product ID:  NPC254588
Common Name:   Genkwadaphnin
IUPAC Name:  
Synonyms:   Genkwadaphnin
Molecular Formula:   C34H36O10
Standard InCHIKey:  RWZIZQFWAANZRA-KUTWFHBRSA-N
Standard InCHI:  InChI=1S/C34H36O10/c1-18(2)33-26(42-29(37)21-11-7-5-8-12-21)20(4)34(43-22-13-9-6-10-14-22)23-15-19(3)25(36)32(23,39)30(38)31(16-35)27(44-31)24(34)28(33)40-17-41-33/h5-15,20,23-24,26-28,30,35,38-39H,1,16-17H2,2-4H3/t20-,23-,24+,26-,27+,28-,30-,31+,32-,33+,34+/m1/s1
Canonical SMILES:  OC[C@]12O[C@H]1[C@H]1[C@H]3OCO[C@@]3(C(=C)C)[C@@H]([C@H]([C@@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)Oc1ccccc1)C)OC(=O)c1ccccc1
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
NPO2035 Daphne aurantiaca Species Thymelaeaceae Eukaryota PMID[20192236]
NPO5087 Daphne oleoides Species Thymelaeaceae Eukaryota HerDing*
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota HerDing*
NPO9756 Daphne genkwa Species Thymelaeaceae Eukaryota TCMID*
NPO5087 Daphne oleoides Species Thymelaeaceae Eukaryota TCMID*

  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 = 70 nM 20192236
NPT319 Cell Line B16 Mus musculus IC50 > 30000 nM 23623417
NPT319 Cell Line B16 Mus musculus IC50 = 180 nM 23623417

  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 NPC254588 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
0.9762 High Similarity NPC186746
0.9042 High Similarity NPC61891
0.8976 High Similarity NPC477190
0.8976 High Similarity NPC43304
0.8976 High Similarity NPC477188
0.8922 High Similarity NPC66193
0.8862 High Similarity NPC275477
0.8824 High Similarity NPC40138
0.8795 High Similarity NPC49297
0.875 High Similarity NPC108191
0.875 High Similarity NPC93685
0.8735 High Similarity NPC181924
0.8698 High Similarity NPC322420
0.8647 High Similarity NPC471134
0.8614 High Similarity NPC251139
0.8554 High Similarity NPC146310
0.8547 High Similarity NPC105395
0.8531 High Similarity NPC11062
0.8488 Intermediate Similarity NPC324769
0.8488 Intermediate Similarity NPC325732
0.8466 Intermediate Similarity NPC148185
0.8457 Intermediate Similarity NPC475237
0.8457 Intermediate Similarity NPC475641
0.8444 Intermediate Similarity NPC242068
0.8444 Intermediate Similarity NPC247563
0.843 Intermediate Similarity NPC316457
0.84 Intermediate Similarity NPC470995
0.8389 Intermediate Similarity NPC208069
0.8372 Intermediate Similarity NPC188649
0.8353 Intermediate Similarity NPC159692
0.8352 Intermediate Similarity NPC294512
0.8343 Intermediate Similarity NPC154675
0.8343 Intermediate Similarity NPC469419
0.8343 Intermediate Similarity NPC296558
0.8333 Intermediate Similarity NPC121995
0.8333 Intermediate Similarity NPC314687
0.8333 Intermediate Similarity NPC120012
0.8324 Intermediate Similarity NPC88841
0.8324 Intermediate Similarity NPC288602
0.8315 Intermediate Similarity NPC195972
0.8315 Intermediate Similarity NPC314672
0.8304 Intermediate Similarity NPC326328
0.8304 Intermediate Similarity NPC309991
0.8304 Intermediate Similarity NPC323356
0.8304 Intermediate Similarity NPC195954
0.8304 Intermediate Similarity NPC471138
0.8304 Intermediate Similarity NPC194499
0.8304 Intermediate Similarity NPC88007
0.8295 Intermediate Similarity NPC118086
0.8287 Intermediate Similarity NPC102367
0.8266 Intermediate Similarity NPC79571
0.8266 Intermediate Similarity NPC68848
0.8266 Intermediate Similarity NPC18986
0.8239 Intermediate Similarity NPC149002
0.8239 Intermediate Similarity NPC469458
0.8239 Intermediate Similarity NPC271235
0.8239 Intermediate Similarity NPC88176
0.8239 Intermediate Similarity NPC469396
0.8239 Intermediate Similarity NPC472652
0.8239 Intermediate Similarity NPC160651
0.8235 Intermediate Similarity NPC475548
0.8235 Intermediate Similarity NPC290683
0.8235 Intermediate Similarity NPC475638
0.8235 Intermediate Similarity NPC106895
0.8235 Intermediate Similarity NPC11410
0.8222 Intermediate Similarity NPC272656
0.8218 Intermediate Similarity NPC285567
0.8218 Intermediate Similarity NPC14499
0.8218 Intermediate Similarity NPC477627
0.8218 Intermediate Similarity NPC476035
0.8218 Intermediate Similarity NPC475039
0.8218 Intermediate Similarity NPC283209
0.8214 Intermediate Similarity NPC471103
0.8214 Intermediate Similarity NPC51602
0.8212 Intermediate Similarity NPC470438
0.8212 Intermediate Similarity NPC316539
0.8212 Intermediate Similarity NPC98776
0.8212 Intermediate Similarity NPC176413
0.8212 Intermediate Similarity NPC476311
0.8212 Intermediate Similarity NPC56953
0.8212 Intermediate Similarity NPC477881
0.8208 Intermediate Similarity NPC470789
0.8208 Intermediate Similarity NPC8389
0.8197 Intermediate Similarity NPC106700
0.8192 Intermediate Similarity NPC103633
0.8192 Intermediate Similarity NPC82602
0.8192 Intermediate Similarity NPC473094
0.8192 Intermediate Similarity NPC302392
0.8187 Intermediate Similarity NPC188217
0.8187 Intermediate Similarity NPC318447
0.8187 Intermediate Similarity NPC322048
0.8182 Intermediate Similarity NPC472775
0.8182 Intermediate Similarity NPC310572
0.8182 Intermediate Similarity NPC472651
0.8182 Intermediate Similarity NPC472774
0.8182 Intermediate Similarity NPC472282
0.8182 Intermediate Similarity NPC102465
0.8182 Intermediate Similarity NPC270312
0.8177 Intermediate Similarity NPC470938
0.8177 Intermediate Similarity NPC476199
0.8177 Intermediate Similarity NPC476210
0.8176 Intermediate Similarity NPC282239
0.8171 Intermediate Similarity NPC259943
0.8167 Intermediate Similarity NPC186800
0.8167 Intermediate Similarity NPC469438
0.8167 Intermediate Similarity NPC470667
0.8156 Intermediate Similarity NPC471632
0.8156 Intermediate Similarity NPC477617
0.8152 Intermediate Similarity NPC299855
0.8152 Intermediate Similarity NPC96194
0.8146 Intermediate Similarity NPC473095
0.8146 Intermediate Similarity NPC102810
0.8146 Intermediate Similarity NPC473202
0.8146 Intermediate Similarity NPC473096
0.8142 Intermediate Similarity NPC478001
0.8142 Intermediate Similarity NPC473883
0.8142 Intermediate Similarity NPC475656
0.8142 Intermediate Similarity NPC475148
0.814 Intermediate Similarity NPC469399
0.8136 Intermediate Similarity NPC471397
0.8136 Intermediate Similarity NPC113093
0.8136 Intermediate Similarity NPC469459
0.8136 Intermediate Similarity NPC472150
0.8132 Intermediate Similarity NPC473729
0.8129 Intermediate Similarity NPC323001
0.8129 Intermediate Similarity NPC326235
0.8125 Intermediate Similarity NPC100425
0.8125 Intermediate Similarity NPC86800
0.8125 Intermediate Similarity NPC472141
0.8125 Intermediate Similarity NPC471286
0.8125 Intermediate Similarity NPC97574
0.8125 Intermediate Similarity NPC161151
0.8125 Intermediate Similarity NPC93172
0.8125 Intermediate Similarity NPC91288
0.8125 Intermediate Similarity NPC277618
0.8122 Intermediate Similarity NPC475233
0.8122 Intermediate Similarity NPC156635
0.8118 Intermediate Similarity NPC471135
0.8114 Intermediate Similarity NPC472139
0.8114 Intermediate Similarity NPC134254
0.8114 Intermediate Similarity NPC472669
0.8114 Intermediate Similarity NPC302369
0.8114 Intermediate Similarity NPC39986
0.8114 Intermediate Similarity NPC92589
0.8111 Intermediate Similarity NPC262386
0.8111 Intermediate Similarity NPC167340
0.8108 Intermediate Similarity NPC282636
0.8108 Intermediate Similarity NPC294863
0.8108 Intermediate Similarity NPC475360
0.8108 Intermediate Similarity NPC189704
0.8105 Intermediate Similarity NPC131405
0.8103 Intermediate Similarity NPC55744
0.8103 Intermediate Similarity NPC472653
0.8103 Intermediate Similarity NPC287559
0.8101 Intermediate Similarity NPC472803
0.8101 Intermediate Similarity NPC477883
0.8092 Intermediate Similarity NPC7059
0.809 Intermediate Similarity NPC472659
0.809 Intermediate Similarity NPC88593
0.8087 Intermediate Similarity NPC477860
0.8087 Intermediate Similarity NPC475161
0.8087 Intermediate Similarity NPC170203
0.8084 Intermediate Similarity NPC477737
0.8081 Intermediate Similarity NPC469417
0.8081 Intermediate Similarity NPC472393
0.8079 Intermediate Similarity NPC472049
0.8079 Intermediate Similarity NPC476853
0.8079 Intermediate Similarity NPC297404
0.8079 Intermediate Similarity NPC173516
0.8079 Intermediate Similarity NPC11608
0.8079 Intermediate Similarity NPC476861
0.8079 Intermediate Similarity NPC476850
0.8079 Intermediate Similarity NPC178281
0.8077 Intermediate Similarity NPC477880
0.8077 Intermediate Similarity NPC477882
0.8077 Intermediate Similarity NPC469418
0.807 Intermediate Similarity NPC26033
0.807 Intermediate Similarity NPC294511
0.807 Intermediate Similarity NPC473670
0.807 Intermediate Similarity NPC228204
0.807 Intermediate Similarity NPC121615
0.807 Intermediate Similarity NPC472549
0.807 Intermediate Similarity NPC21410
0.8068 Intermediate Similarity NPC62692
0.8068 Intermediate Similarity NPC56358
0.8068 Intermediate Similarity NPC477491
0.8068 Intermediate Similarity NPC326278
0.8068 Intermediate Similarity NPC478229
0.8068 Intermediate Similarity NPC261184
0.8068 Intermediate Similarity NPC476858
0.8068 Intermediate Similarity NPC476856
0.8068 Intermediate Similarity NPC271657
0.8068 Intermediate Similarity NPC126984
0.8068 Intermediate Similarity NPC276735
0.8068 Intermediate Similarity NPC476857
0.8068 Intermediate Similarity NPC27541
0.8066 Intermediate Similarity NPC68381
0.8066 Intermediate Similarity NPC472665
0.8066 Intermediate Similarity NPC469354
0.8066 Intermediate Similarity NPC162248

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC254588 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
0.875 High Similarity NPD8055 Clinical (unspecified phase)
0.8389 Intermediate Similarity NPD8434 Phase 2
0.8207 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7923 Intermediate Similarity NPD8312 Approved
0.7923 Intermediate Similarity NPD8313 Approved
0.7912 Intermediate Similarity NPD7685 Pre-registration
0.7889 Intermediate Similarity NPD3818 Discontinued
0.7889 Intermediate Similarity NPD3751 Discontinued
0.7874 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7865 Intermediate Similarity NPD3787 Discontinued
0.7845 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD7075 Discontinued
0.7821 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7809 Intermediate Similarity NPD7199 Phase 2
0.779 Intermediate Similarity NPD7799 Discontinued
0.7784 Intermediate Similarity NPD4965 Approved
0.7784 Intermediate Similarity NPD4967 Phase 2
0.7784 Intermediate Similarity NPD4966 Approved
0.7772 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD7819 Suspended
0.774 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD6559 Discontinued
0.7714 Intermediate Similarity NPD6801 Discontinued
0.7714 Intermediate Similarity NPD37 Approved
0.7697 Intermediate Similarity NPD6234 Discontinued
0.7692 Intermediate Similarity NPD7435 Discontinued
0.7676 Intermediate Similarity NPD7808 Phase 3
0.7627 Intermediate Similarity NPD5402 Approved
0.7627 Intermediate Similarity NPD3817 Phase 2
0.7622 Intermediate Similarity NPD7251 Discontinued
0.7619 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD7074 Phase 3
0.7606 Intermediate Similarity NPD8150 Discontinued
0.76 Intermediate Similarity NPD6599 Discontinued
0.7596 Intermediate Similarity NPD7228 Approved
0.7588 Intermediate Similarity NPD4628 Phase 3
0.7571 Intermediate Similarity NPD5761 Phase 2
0.7571 Intermediate Similarity NPD5760 Phase 2
0.7568 Intermediate Similarity NPD6797 Phase 2
0.7568 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7558 Intermediate Similarity NPD6799 Approved
0.7556 Intermediate Similarity NPD5494 Approved
0.7554 Intermediate Similarity NPD7054 Approved
0.7554 Intermediate Similarity NPD5844 Phase 1
0.755 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.755 Intermediate Similarity NPD7874 Approved
0.7541 Intermediate Similarity NPD7473 Discontinued
0.7538 Intermediate Similarity NPD6776 Approved
0.7538 Intermediate Similarity NPD6780 Approved
0.7538 Intermediate Similarity NPD6781 Approved
0.7538 Intermediate Similarity NPD6782 Approved
0.7538 Intermediate Similarity NPD6779 Approved
0.7538 Intermediate Similarity NPD6777 Approved
0.7538 Intermediate Similarity NPD6778 Approved
0.7529 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD7472 Approved
0.7513 Intermediate Similarity NPD7697 Approved
0.7513 Intermediate Similarity NPD7698 Approved
0.7513 Intermediate Similarity NPD7696 Phase 3
0.75 Intermediate Similarity NPD8407 Phase 2
0.75 Intermediate Similarity NPD8404 Phase 2
0.7486 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD6166 Phase 2
0.7486 Intermediate Similarity NPD3882 Suspended
0.7486 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD7871 Phase 2
0.7475 Intermediate Similarity NPD7870 Phase 2
0.7472 Intermediate Similarity NPD8455 Phase 2
0.7457 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD7701 Phase 2
0.7443 Intermediate Similarity NPD3226 Approved
0.7443 Intermediate Similarity NPD7458 Discontinued
0.7433 Intermediate Similarity NPD6764 Approved
0.7433 Intermediate Similarity NPD6765 Approved
0.7433 Intermediate Similarity NPD8368 Discontinued
0.7433 Intermediate Similarity NPD7240 Approved
0.743 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD5403 Approved
0.7426 Intermediate Similarity NPD7801 Approved
0.7418 Intermediate Similarity NPD8127 Discontinued
0.7414 Intermediate Similarity NPD5401 Approved
0.7401 Intermediate Similarity NPD4380 Phase 2
0.7387 Intermediate Similarity NPD8319 Approved
0.7387 Intermediate Similarity NPD8320 Phase 1
0.7377 Intermediate Similarity NPD6232 Discontinued
0.7374 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD7411 Suspended
0.735 Intermediate Similarity NPD7999 Approved
0.7347 Intermediate Similarity NPD7700 Phase 2
0.7347 Intermediate Similarity NPD7699 Phase 2
0.7341 Intermediate Similarity NPD6190 Approved
0.7326 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD1934 Approved
0.7317 Intermediate Similarity NPD7930 Approved
0.7314 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD2799 Discontinued
0.7282 Intermediate Similarity NPD6534 Approved
0.7282 Intermediate Similarity NPD6535 Approved
0.7278 Intermediate Similarity NPD2801 Approved
0.7277 Intermediate Similarity NPD6785 Approved
0.7277 Intermediate Similarity NPD6784 Approved
0.7273 Intermediate Similarity NPD6273 Approved
0.7255 Intermediate Similarity NPD7783 Phase 2
0.7255 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD8360 Approved
0.7254 Intermediate Similarity NPD8435 Approved
0.7254 Intermediate Similarity NPD8361 Approved
0.7253 Intermediate Similarity NPD3749 Approved
0.7241 Intermediate Similarity NPD8151 Discontinued
0.7219 Intermediate Similarity NPD6355 Discontinued
0.7213 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD5762 Approved
0.7209 Intermediate Similarity NPD2346 Discontinued
0.7209 Intermediate Similarity NPD5763 Approved
0.7204 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD6823 Phase 2
0.72 Intermediate Similarity NPD7236 Approved
0.7198 Intermediate Similarity NPD7768 Phase 2
0.719 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD2796 Approved
0.7135 Intermediate Similarity NPD6959 Discontinued
0.712 Intermediate Similarity NPD919 Approved
0.7119 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD2532 Approved
0.7119 Intermediate Similarity NPD2534 Approved
0.7119 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD2533 Approved
0.7101 Intermediate Similarity NPD6233 Phase 2
0.7095 Intermediate Similarity NPD7239 Suspended
0.7093 Intermediate Similarity NPD7033 Discontinued
0.709 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD1512 Approved
0.7079 Intermediate Similarity NPD7497 Discontinued
0.7069 Intermediate Similarity NPD1549 Phase 2
0.7062 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3926 Phase 2
0.7056 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD1247 Approved
0.7041 Intermediate Similarity NPD6798 Discontinued
0.7041 Intermediate Similarity NPD2313 Discontinued
0.7039 Intermediate Similarity NPD920 Approved
0.7035 Intermediate Similarity NPD7097 Phase 1
0.7035 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD7028 Phase 2
0.7015 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD1471 Phase 3
0.7005 Intermediate Similarity NPD7229 Phase 3
0.6995 Remote Similarity NPD1465 Phase 2
0.6989 Remote Similarity NPD3750 Approved
0.6983 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6966 Remote Similarity NPD1511 Approved
0.6965 Remote Similarity NPD8285 Discontinued
0.6954 Remote Similarity NPD2935 Discontinued
0.6947 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6941 Remote Similarity NPD3764 Approved
0.6941 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6927 Remote Similarity NPD642 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6832 Phase 2
0.6919 Remote Similarity NPD1933 Approved
0.6914 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6005 Phase 3
0.6914 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6004 Phase 3
0.6914 Remote Similarity NPD6002 Phase 3
0.6912 Remote Similarity NPD7680 Approved
0.6905 Remote Similarity NPD2798 Approved
0.6897 Remote Similarity NPD1510 Phase 2
0.6897 Remote Similarity NPD3748 Approved
0.6893 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6882 Remote Similarity NPD7095 Approved
0.6881 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6875 Remote Similarity NPD970 Clinical (unspecified phase)
0.6872 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6867 Remote Similarity NPD1608 Approved
0.6866 Remote Similarity NPD8485 Approved
0.6857 Remote Similarity NPD1551 Phase 2
0.6854 Remote Similarity NPD3887 Approved
0.6854 Remote Similarity NPD2354 Approved
0.6836 Remote Similarity NPD1243 Approved
0.6836 Remote Similarity NPD6674 Discontinued
0.6834 Remote Similarity NPD7296 Approved
0.6818 Remote Similarity NPD7266 Discontinued
0.6818 Remote Similarity NPD2344 Approved
0.6816 Remote Similarity NPD643 Clinical (unspecified phase)
0.6813 Remote Similarity NPD1653 Approved
0.6812 Remote Similarity NPD7584 Approved
0.6806 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6805 Remote Similarity NPD5647 Approved
0.68 Remote Similarity NPD6214 Clinical (unspecified phase)
0.68 Remote Similarity NPD6212 Phase 3
0.68 Remote Similarity NPD6213 Phase 3
0.6789 Remote Similarity NPD8059 Phase 3
0.6789 Remote Similarity NPD8058 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   46886776
ChEMBL   CHEMBL1096218
ZINC  

Physicochemical Properties

Molecular Weight:  604.23
ALogP:  -1.8152
MLogP:  4.1
XLogP:  4.29
# Rotatable Bonds:  13
Polar Surface Area:  144.28
# H-Bond Aceptor:  9
# H-Bond Donor:  3
# Rings:  7
# Heavy Atoms:  44

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs