Natural Product: NPC314738

Natural Product ID:  NPC314738
Common Name:   Epirubicin
IUPAC Name:   (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Synonyms:   Ellence; Epirubicin
Molecular Formula:   C27H29NO11
Standard InCHIKey:  AOJJSUZBOXZQNB-VTZDEGQISA-N
Standard InCHI:  InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22-,27-/m0/s1
Canonical SMILES:  OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC
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
NPO28993 Streptomyces venezuelae Species Streptomycetaceae Bacteria StreptomeDB*
NPO28556.2 Streptomyces peucetius atcc 29050 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 = 200 nM 9548820
NPT378 Cell Line NCI/ADR-RES Homo sapiens IC50 > 10000 nM 9548820
NPT2938 Individual Protein Hepatitis C virus NS3 protease/helicase Hepatitis C virus IC50 = 750 nM 15633995
NPT2 Others Unspecified Activity = 66 % 19481462
NPT2 Others Unspecified Activity = 64 % 19481462
NPT2082 Cell Line HT-144 Homo sapiens Activity = 91 % 19481462
NPT2 Others Unspecified Activity = 78.6 % 19481462
NPT83 Cell Line MCF7 Homo sapiens IC50 = 0.56 ug/ml 21545109
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 = 0.33 ug/ml 21545109
NPT65 Cell Line HepG2 Homo sapiens IC50 = 0.56 ug/ml 21545109
NPT165 Cell Line HeLa Homo sapiens IC50 = 0.51 ug/ml 21545109
NPT306 Cell Line PC-3 Homo sapiens IC50 = 0.16 ug/ml 21545109
NPT14 Individual Protein Tyrosine-protein kinase FYN Homo sapiens IC50 = 5181 nM DrugMatrix in vitro pharmacology data
NPT293 Individual Protein Serotonin 4 (5-HT4) receptor Cavia porcellus IC50 = 7935 nM DrugMatrix in vitro pharmacology data
NPT293 Individual Protein Serotonin 4 (5-HT4) receptor Cavia porcellus Ki = 1323 nM DrugMatrix in vitro pharmacology data
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 820 nM 22276679
NPT2 Others Unspecified IC50 = 1650 nM 22276679
NPT306 Cell Line PC-3 Homo sapiens IC50 = 460 nM 22276679
NPT65 Cell Line HepG2 Homo sapiens IC50 = 1650 nM 22276679
NPT2 Others Unspecified IC50 = 960 nM 22276679
NPT492 Cell Line Caco-2 Homo sapiens IC50 = 410000 nM 22940450
NPT515 Cell Line SGC-7901 Homo sapiens IC50 = 510000 nM 22940450
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 570000 nM 22940450
NPT1097 Cell Line MKN-45 Homo sapiens IC50 = 660000 nM 22940450
NPT377 Cell Line OVCAR-3 Homo sapiens IC50 = 750000 nM 22940450
NPT81 Cell Line A549 Homo sapiens IC50 = 880000 nM 22940450
NPT1872 Cell Line Bcap37 Homo sapiens IC50 = 890000 nM 22940450
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 1230000 nM 22940450
NPT83 Cell Line MCF7 Homo sapiens IC50 = 1250000 nM 22940450
NPT1668 Cell Line NCI-H157 Homo sapiens IC50 = 1720000 nM 22940450
NPT2 Others Unspecified IC50 = 1740000 nM 22940450
NPT65 Cell Line HepG2 Homo sapiens IC50 = 2230000 nM 22940450
NPT937 Cell Line NCI-H446 Homo sapiens IC50 = 2350000 nM 22940450
NPT2 Others Unspecified IC50 = 3410000 nM 22940450
NPT90 Cell Line DU-145 Homo sapiens IC50 = 4010000 nM 22940450
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 6740000 nM 22940450
NPT2 Others Unspecified IC50 > 20000 nM 23287057
NPT90 Cell Line DU-145 Homo sapiens IC50 = 9900 nM 23287057
NPT81 Cell Line A549 Homo sapiens IC50 = 9600 nM 23287057
NPT306 Cell Line PC-3 Homo sapiens IC50 = 5700 nM 23287057
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 5600 nM 23287057
NPT65 Cell Line HepG2 Homo sapiens IC50 = 4600 nM 23287057
NPT396 Cell Line T47D Homo sapiens IC50 = 4300 nM 23287057
NPT886 Cell Line NIH3T3 Mus musculus IC50 = 4200 nM 23287057
NPT83 Cell Line MCF7 Homo sapiens IC50 = 3700 nM 23287057
NPT81 Cell Line A549 Homo sapiens Activity = 0.61 % 25066952
NPT165 Cell Line HeLa Homo sapiens Activity = 24.3 % 25066952

  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 NPC314738 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 NPC261012
1.0 High Similarity NPC109403
0.9887 High Similarity NPC315351
0.9887 High Similarity NPC316412
0.8978 High Similarity NPC42286
0.893 High Similarity NPC313274
0.8802 High Similarity NPC315889
0.8771 High Similarity NPC478021
0.8757 High Similarity NPC478020
0.8757 High Similarity NPC478022
0.8743 High Similarity NPC314941
0.8743 High Similarity NPC315221
0.8722 High Similarity NPC294501
0.8696 High Similarity NPC313452
0.8673 High Similarity NPC315253
0.8587 High Similarity NPC153578
0.8587 High Similarity NPC114257
0.8587 High Similarity NPC277710
0.8587 High Similarity NPC299149
0.8579 High Similarity NPC102053
0.8579 High Similarity NPC475246
0.8571 High Similarity NPC85368
0.8531 High Similarity NPC284495
0.8525 High Similarity NPC3718
0.8516 High Similarity NPC5029
0.8516 High Similarity NPC271385
0.8516 High Similarity NPC111536
0.8516 High Similarity NPC76128
0.8516 High Similarity NPC30432
0.8486 Intermediate Similarity NPC58538
0.8478 Intermediate Similarity NPC475233
0.8478 Intermediate Similarity NPC46958
0.847 Intermediate Similarity NPC203751
0.8466 Intermediate Similarity NPC314672
0.8441 Intermediate Similarity NPC477860
0.8441 Intermediate Similarity NPC475161
0.8438 Intermediate Similarity NPC108487
0.8436 Intermediate Similarity NPC278329
0.8436 Intermediate Similarity NPC101116
0.8436 Intermediate Similarity NPC146837
0.8436 Intermediate Similarity NPC212099
0.8424 Intermediate Similarity NPC470667
0.8424 Intermediate Similarity NPC186800
0.8424 Intermediate Similarity NPC68381
0.8407 Intermediate Similarity NPC175477
0.8407 Intermediate Similarity NPC222455
0.8404 Intermediate Similarity NPC87583
0.8382 Intermediate Similarity NPC252156
0.8378 Intermediate Similarity NPC289876
0.837 Intermediate Similarity NPC199357
0.837 Intermediate Similarity NPC98776
0.837 Intermediate Similarity NPC472054
0.8361 Intermediate Similarity NPC470580
0.836 Intermediate Similarity NPC105591
0.8351 Intermediate Similarity NPC224557
0.8351 Intermediate Similarity NPC292706
0.8343 Intermediate Similarity NPC329647
0.8343 Intermediate Similarity NPC470735
0.8343 Intermediate Similarity NPC178281
0.8342 Intermediate Similarity NPC133775
0.8324 Intermediate Similarity NPC19056
0.8324 Intermediate Similarity NPC470583
0.8316 Intermediate Similarity NPC205721
0.8315 Intermediate Similarity NPC270027
0.8315 Intermediate Similarity NPC183441
0.8306 Intermediate Similarity NPC246274
0.8289 Intermediate Similarity NPC212290
0.8289 Intermediate Similarity NPC72783
0.8261 Intermediate Similarity NPC298778
0.8256 Intermediate Similarity NPC131405
0.8251 Intermediate Similarity NPC103633
0.8251 Intermediate Similarity NPC63470
0.8245 Intermediate Similarity NPC197357
0.8245 Intermediate Similarity NPC85316
0.8235 Intermediate Similarity NPC470582
0.8235 Intermediate Similarity NPC115447
0.8235 Intermediate Similarity NPC470581
0.8235 Intermediate Similarity NPC266513
0.8232 Intermediate Similarity NPC216752
0.8232 Intermediate Similarity NPC97637
0.8232 Intermediate Similarity NPC187934
0.8226 Intermediate Similarity NPC70862
0.8226 Intermediate Similarity NPC199533
0.8226 Intermediate Similarity NPC470454
0.8226 Intermediate Similarity NPC146803
0.8216 Intermediate Similarity NPC315619
0.8212 Intermediate Similarity NPC206641
0.8212 Intermediate Similarity NPC208651
0.8207 Intermediate Similarity NPC259905
0.8207 Intermediate Similarity NPC137460
0.8201 Intermediate Similarity NPC478001
0.8201 Intermediate Similarity NPC329790
0.8197 Intermediate Similarity NPC178851
0.8191 Intermediate Similarity NPC245059
0.8191 Intermediate Similarity NPC84494
0.8191 Intermediate Similarity NPC187441
0.8191 Intermediate Similarity NPC283980
0.8182 Intermediate Similarity NPC176246
0.8172 Intermediate Similarity NPC470336
0.8172 Intermediate Similarity NPC470438
0.8172 Intermediate Similarity NPC470335
0.8172 Intermediate Similarity NPC213052
0.8167 Intermediate Similarity NPC53139
0.8148 Intermediate Similarity NPC470448
0.8148 Intermediate Similarity NPC164047
0.8148 Intermediate Similarity NPC470453
0.8148 Intermediate Similarity NPC208069
0.8148 Intermediate Similarity NPC470452
0.8142 Intermediate Similarity NPC297404
0.8142 Intermediate Similarity NPC11608
0.8138 Intermediate Similarity NPC470334
0.8138 Intermediate Similarity NPC83331
0.8128 Intermediate Similarity NPC474345
0.8118 Intermediate Similarity NPC473113
0.8115 Intermediate Similarity NPC241847
0.8111 Intermediate Similarity NPC177742
0.8105 Intermediate Similarity NPC475662
0.8105 Intermediate Similarity NPC293227
0.8105 Intermediate Similarity NPC473717
0.8105 Intermediate Similarity NPC473631
0.8103 Intermediate Similarity NPC314687
0.8101 Intermediate Similarity NPC3449
0.8093 Intermediate Similarity NPC314459
0.8093 Intermediate Similarity NPC470199
0.8087 Intermediate Similarity NPC183672
0.8085 Intermediate Similarity NPC198893
0.8085 Intermediate Similarity NPC232818
0.8085 Intermediate Similarity NPC314489
0.8085 Intermediate Similarity NPC272656
0.8075 Intermediate Similarity NPC65118
0.8075 Intermediate Similarity NPC154986
0.8065 Intermediate Similarity NPC241874
0.8056 Intermediate Similarity NPC283480
0.8056 Intermediate Similarity NPC148323
0.8054 Intermediate Similarity NPC470341
0.8054 Intermediate Similarity NPC324522
0.8054 Intermediate Similarity NPC473094
0.8054 Intermediate Similarity NPC234497
0.8054 Intermediate Similarity NPC472058
0.8054 Intermediate Similarity NPC105414
0.8043 Intermediate Similarity NPC478026
0.8043 Intermediate Similarity NPC472049
0.8042 Intermediate Similarity NPC168584
0.8042 Intermediate Similarity NPC47191
0.8041 Intermediate Similarity NPC48474
0.8033 Intermediate Similarity NPC131745
0.8033 Intermediate Similarity NPC259834
0.8033 Intermediate Similarity NPC478229
0.8032 Intermediate Similarity NPC307754
0.8032 Intermediate Similarity NPC108202
0.8032 Intermediate Similarity NPC63105
0.8032 Intermediate Similarity NPC223735
0.8021 Intermediate Similarity NPC475352
0.8021 Intermediate Similarity NPC221140
0.8021 Intermediate Similarity NPC477836
0.8021 Intermediate Similarity NPC475220
0.8021 Intermediate Similarity NPC473686
0.8021 Intermediate Similarity NPC229817
0.802 Intermediate Similarity NPC316164
0.8011 Intermediate Similarity NPC473202
0.8011 Intermediate Similarity NPC473096
0.8011 Intermediate Similarity NPC473095
0.801 Intermediate Similarity NPC470200
0.801 Intermediate Similarity NPC470196
0.801 Intermediate Similarity NPC470197
0.801 Intermediate Similarity NPC470194
0.801 Intermediate Similarity NPC470195
0.801 Intermediate Similarity NPC282474
0.801 Intermediate Similarity NPC470193
0.801 Intermediate Similarity NPC316274
0.801 Intermediate Similarity NPC470198
0.8 Intermediate Similarity NPC174599
0.8 Intermediate Similarity NPC82190
0.8 Intermediate Similarity NPC192219
0.8 Intermediate Similarity NPC70441
0.7989 Intermediate Similarity NPC156635
0.7989 Intermediate Similarity NPC17432
0.7989 Intermediate Similarity NPC278419
0.7989 Intermediate Similarity NPC92403
0.7989 Intermediate Similarity NPC76112
0.7989 Intermediate Similarity NPC66820
0.7989 Intermediate Similarity NPC170018
0.7989 Intermediate Similarity NPC66087
0.7989 Intermediate Similarity NPC179198
0.7978 Intermediate Similarity NPC73148
0.7969 Intermediate Similarity NPC148710
0.7968 Intermediate Similarity NPC8704
0.7968 Intermediate Similarity NPC287884
0.7968 Intermediate Similarity NPC313304
0.7968 Intermediate Similarity NPC105511
0.7968 Intermediate Similarity NPC44558
0.7967 Intermediate Similarity NPC324736
0.7967 Intermediate Similarity NPC231475
0.7967 Intermediate Similarity NPC57072
0.7959 Intermediate Similarity NPC314020
0.7957 Intermediate Similarity NPC225419
0.795 Intermediate Similarity NPC314946
0.7949 Intermediate Similarity NPC264302
0.7947 Intermediate Similarity NPC478000
0.7947 Intermediate Similarity NPC477683

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314738 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 NPD6776 Approved
1.0 High Similarity NPD6782 Approved
1.0 High Similarity NPD6781 Approved
1.0 High Similarity NPD6780 Approved
1.0 High Similarity NPD6779 Approved
1.0 High Similarity NPD6778 Approved
1.0 High Similarity NPD6777 Approved
0.9724 High Similarity NPD7696 Phase 3
0.9724 High Similarity NPD7697 Approved
0.9724 High Similarity NPD7698 Approved
0.9718 High Similarity NPD6534 Approved
0.9718 High Similarity NPD6535 Approved
0.967 High Similarity NPD7871 Phase 2
0.967 High Similarity NPD7870 Phase 2
0.9556 High Similarity NPD7700 Phase 2
0.9556 High Similarity NPD7699 Phase 2
0.9465 High Similarity NPD7801 Approved
0.9402 High Similarity NPD7435 Discontinued
0.9348 High Similarity NPD6823 Phase 2
0.9202 High Similarity NPD7701 Phase 2
0.9105 High Similarity NPD7875 Clinical (unspecified phase)
0.9105 High Similarity NPD7874 Approved
0.9031 High Similarity NPD8155 Clinical (unspecified phase)
0.8859 High Similarity NPD7879 Clinical (unspecified phase)
0.8763 High Similarity NPD7783 Phase 2
0.8763 High Similarity NPD7782 Clinical (unspecified phase)
0.8743 High Similarity NPD8320 Phase 1
0.8743 High Similarity NPD8319 Approved
0.8621 High Similarity NPD8058 Clinical (unspecified phase)
0.8621 High Similarity NPD8059 Phase 3
0.861 High Similarity NPD6214 Clinical (unspecified phase)
0.861 High Similarity NPD6212 Phase 3
0.861 High Similarity NPD6213 Phase 3
0.8601 High Similarity NPD7211 Clinical (unspecified phase)
0.8376 Intermediate Similarity NPD8151 Discontinued
0.8148 Intermediate Similarity NPD8150 Discontinued
0.7989 Intermediate Similarity NPD8313 Approved
0.7989 Intermediate Similarity NPD8312 Approved
0.7914 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7902 Intermediate Similarity NPD7930 Approved
0.7814 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7766 Intermediate Similarity NPD3751 Discontinued
0.7749 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7737 Intermediate Similarity NPD6797 Phase 2
0.7696 Intermediate Similarity NPD6559 Discontinued
0.7696 Intermediate Similarity NPD7251 Discontinued
0.7688 Intermediate Similarity NPD6959 Discontinued
0.7685 Intermediate Similarity NPD7999 Approved
0.7684 Intermediate Similarity NPD7074 Phase 3
0.768 Intermediate Similarity NPD4380 Phase 2
0.7656 Intermediate Similarity NPD7808 Phase 3
0.7647 Intermediate Similarity NPD3787 Discontinued
0.7632 Intermediate Similarity NPD7054 Approved
0.7592 Intermediate Similarity NPD7472 Approved
0.7579 Intermediate Similarity NPD3818 Discontinued
0.7566 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD6166 Phase 2
0.7553 Intermediate Similarity NPD6232 Discontinued
0.7539 Intermediate Similarity NPD5844 Phase 1
0.7527 Intermediate Similarity NPD7075 Discontinued
0.7526 Intermediate Similarity NPD7473 Discontinued
0.7476 Intermediate Similarity NPD7584 Approved
0.7475 Intermediate Similarity NPD8285 Discontinued
0.7449 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD5402 Approved
0.7366 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD7819 Suspended
0.7366 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD3226 Approved
0.7337 Intermediate Similarity NPD8361 Approved
0.7337 Intermediate Similarity NPD8360 Approved
0.7312 Intermediate Similarity NPD6801 Discontinued
0.7296 Intermediate Similarity NPD5034 Approved
0.7296 Intermediate Similarity NPD5028 Approved
0.7296 Intermediate Similarity NPD5026 Approved
0.7296 Intermediate Similarity NPD4954 Approved
0.7296 Intermediate Similarity NPD4955 Approved
0.7296 Intermediate Similarity NPD36 Approved
0.7292 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7282 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD5710 Approved
0.7277 Intermediate Similarity NPD5711 Approved
0.7268 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD5494 Approved
0.725 Intermediate Similarity NPD8435 Approved
0.7245 Intermediate Similarity NPD8368 Discontinued
0.7245 Intermediate Similarity NPD5030 Phase 2
0.7243 Intermediate Similarity NPD7458 Discontinued
0.7243 Intermediate Similarity NPD8404 Phase 2
0.7236 Intermediate Similarity NPD5037 Approved
0.7236 Intermediate Similarity NPD5038 Approved
0.7234 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD6973 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD8407 Phase 2
0.7219 Intermediate Similarity NPD1934 Approved
0.7216 Intermediate Similarity NPD7228 Approved
0.7213 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD7585 Approved
0.7189 Intermediate Similarity NPD8366 Approved
0.7186 Intermediate Similarity NPD5036 Approved
0.7181 Intermediate Similarity NPD2801 Approved
0.7173 Intermediate Similarity NPD4666 Phase 3
0.7166 Intermediate Similarity NPD7411 Suspended
0.7151 Intermediate Similarity NPD2651 Approved
0.7151 Intermediate Similarity NPD2649 Approved
0.715 Intermediate Similarity NPD8434 Phase 2
0.7143 Intermediate Similarity NPD7583 Approved
0.7136 Intermediate Similarity NPD8491 Approved
0.7128 Intermediate Similarity NPD6844 Discontinued
0.7128 Intermediate Similarity NPD7177 Discontinued
0.7123 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD8485 Approved
0.7121 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD5709 Phase 3
0.712 Intermediate Similarity NPD2533 Approved
0.712 Intermediate Similarity NPD2532 Approved
0.712 Intermediate Similarity NPD2534 Approved
0.7113 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD6599 Discontinued
0.7105 Intermediate Similarity NPD3882 Suspended
0.7101 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD8455 Phase 2
0.7085 Intermediate Similarity NPD5035 Approved
0.7065 Intermediate Similarity NPD7390 Discontinued
0.7065 Intermediate Similarity NPD3863 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD2935 Discontinued
0.7053 Intermediate Similarity NPD3817 Phase 2
0.7043 Intermediate Similarity NPD5403 Approved
0.7037 Intermediate Similarity NPD37 Approved
0.7032 Intermediate Similarity NPD7907 Approved
0.7031 Intermediate Similarity NPD6234 Discontinued
0.7027 Intermediate Similarity NPD4661 Approved
0.7027 Intermediate Similarity NPD4662 Approved
0.702 Intermediate Similarity NPD3823 Discontinued
0.7018 Intermediate Similarity NPD4665 Approved
0.7018 Intermediate Similarity NPD4111 Phase 1
0.7017 Intermediate Similarity NPD2346 Discontinued
0.7016 Intermediate Similarity NPD4965 Approved
0.7016 Intermediate Similarity NPD4967 Phase 2
0.7016 Intermediate Similarity NPD4966 Approved
0.7 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7497 Discontinued
0.6986 Remote Similarity NPD2493 Approved
0.6986 Remote Similarity NPD2494 Approved
0.6985 Remote Similarity NPD5031 Approved
0.6985 Remote Similarity NPD7039 Approved
0.6985 Remote Similarity NPD5027 Approved
0.6985 Remote Similarity NPD5029 Approved
0.6985 Remote Similarity NPD7038 Approved
0.6985 Remote Similarity NPD7685 Pre-registration
0.698 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6979 Remote Similarity NPD3749 Approved
0.6978 Remote Similarity NPD1549 Phase 2
0.6973 Remote Similarity NPD6799 Approved
0.6968 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6961 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2163 Approved
0.6952 Remote Similarity NPD5006 Approved
0.6952 Remote Similarity NPD5005 Approved
0.6942 Remote Similarity NPD4363 Phase 3
0.6942 Remote Similarity NPD4360 Phase 2
0.6935 Remote Similarity NPD5401 Approved
0.6933 Remote Similarity NPD8067 Phase 3
0.6927 Remote Similarity NPD7768 Phase 2
0.6923 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4420 Approved
0.6923 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6919 Remote Similarity NPD3300 Phase 2
0.6906 Remote Similarity NPD1510 Phase 2
0.6905 Remote Similarity NPD3450 Approved
0.6905 Remote Similarity NPD3452 Approved
0.6902 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6902 Remote Similarity NPD4628 Phase 3
0.69 Remote Similarity NPD7240 Approved
0.69 Remote Similarity NPD5039 Approved
0.6898 Remote Similarity NPD1512 Approved
0.6889 Remote Similarity NPD1607 Approved
0.6887 Remote Similarity NPD4583 Approved
0.6887 Remote Similarity NPD4582 Approved
0.6875 Remote Similarity NPD2974 Approved
0.6875 Remote Similarity NPD2975 Approved
0.6875 Remote Similarity NPD2973 Approved
0.6865 Remote Similarity NPD6190 Approved
0.6844 Remote Similarity NPD7654 Discontinued
0.684 Remote Similarity NPD4004 Approved
0.684 Remote Similarity NPD4002 Approved
0.6823 Remote Similarity NPD1465 Phase 2
0.6809 Remote Similarity NPD2675 Approved
0.6809 Remote Similarity NPD2676 Approved
0.6802 Remote Similarity NPD7184 Clinical (unspecified phase)
0.68 Remote Similarity NPD8469 Approved
0.68 Remote Similarity NPD4956 Approved
0.6794 Remote Similarity NPD7282 Approved

Structure

External Identifiers

PubChem CID   41867
ChEMBL   CHEMBL417
ZINC  

Physicochemical Properties

Molecular Weight:  543.17
ALogP:  -4.4188
MLogP:  3.11
XLogP:  -1.679
# Rotatable Bonds:  13
Polar Surface Area:  206.07
# H-Bond Aceptor:  9
# H-Bond Donor:  6
# Rings:  5
# Heavy Atoms:  39

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