Natural Product: NPC295643

Natural Product ID:  NPC295643
Common Name:   Methyl Glycyrrhetinate
IUPAC Name:   methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
Synonyms:  
Molecular Formula:   C31H48O4
Standard InCHIKey:  RMIVRCBSQPCSCQ-BDANYOJNSA-N
Standard InCHI:  InChI=1S/C31H48O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22-24,33H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29-,30+,31+/m0/s1
Canonical SMILES:  COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC(=O)[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)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
NPO7154 Glycyrrhiza uralensis Species Fabaceae Eukaryota UNPD*
NPO10026 Mitracarpus scaber Species Rubiaceae Eukaryota UNPD*
NPO7786 Lentinus tigrinus Species Lentinaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 27540 nM 20932766
NPT1215 Cell Line 8505C Homo sapiens IC50 = 26070 nM 20932766
NPT2 Others Unspecified IC50 = 19420 nM 20932766
NPT179 Cell Line A2780 Homo sapiens IC50 = 25540 nM 20932766
NPT762 Cell Line A-431 Homo sapiens IC50 = 25280 nM 20932766
NPT81 Cell Line A549 Homo sapiens IC50 = 23500 nM 20932766
NPT579 Cell Line DLD-1 Homo sapiens IC50 = 26120 nM 20932766
NPT1216 Cell Line FaDu Homo sapiens IC50 = 23410 nM 20932766
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 22100 nM 20932766
NPT180 Cell Line HCT-8 Homo sapiens IC50 = 24360 nM 20932766
NPT139 Cell Line HT-29 Homo sapiens IC50 = 27540 nM 20932766
NPT2 Others Unspecified IC50 = 20470 nM 20932766
NPT83 Cell Line MCF7 Homo sapiens IC50 = 22140 nM 20932766
NPT763 Cell Line SW-1736 Homo sapiens IC50 = 34870 nM 20932766
NPT660 Cell Line SW480 Homo sapiens IC50 = 16080 nM 20932766
NPT2 Others Unspecified IC50 = 27540 nM 20884085
NPT1215 Cell Line 8505C Homo sapiens IC50 = 26070 nM 20884085
NPT2 Others Unspecified IC50 = 19420 nM 20884085
NPT179 Cell Line A2780 Homo sapiens IC50 = 25540 nM 20884085
NPT81 Cell Line A549 Homo sapiens IC50 = 23500 nM 20884085
NPT579 Cell Line DLD-1 Homo sapiens IC50 = 26120 nM 20884085
NPT1216 Cell Line FaDu Homo sapiens IC50 = 23410 nM 20884085
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 22100 nM 20884085
NPT180 Cell Line HCT-8 Homo sapiens IC50 = 24360 nM 20884085
NPT139 Cell Line HT-29 Homo sapiens IC50 = 27540 nM 20884085
NPT2 Others Unspecified IC50 = 20470 nM 20884085
NPT83 Cell Line MCF7 Homo sapiens IC50 = 22140 nM 20884085
NPT763 Cell Line SW-1736 Homo sapiens IC50 = 34870 nM 20884085
NPT660 Cell Line SW480 Homo sapiens IC50 = 16080 nM 20884085
NPT2 Others Unspecified CC50 > 1744290 nM 22520261
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 > 1744290 nM 22520261
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 > 443570 nM 22520261
NPT1886 Cell Line J774 Mus musculus IC50 > 100000 nM 24268542
NPT2 Others Unspecified IC50 > 100000 nM 24268542
NPT886 Cell Line NIH3T3 Mus musculus IC50 = 22810 nM 24361520
NPT2 Others Unspecified IC50 = 27540 nM 24361520
NPT1215 Cell Line 8505C Homo sapiens IC50 = 26070 nM 24361520
NPT2 Others Unspecified IC50 = 19420 nM 24361520
NPT2 Others Unspecified IC50 = 26120 nM 24361520
NPT2 Others Unspecified IC50 = 20470 nM 24361520
NPT83 Cell Line MCF7 Homo sapiens IC50 = 22140 nM 24361520
NPT2 Others Unspecified IC50 = 34870 nM 24361520
NPT1218 Individual Protein Carbonic anhydrase II Bos taurus Ki > 10000 nM 25147151
NPT2 Others Unspecified EC50 > 30000 nM 26177446
NPT1215 Cell Line 8505C Homo sapiens EC50 > 30000 nM 26177446
NPT81 Cell Line A549 Homo sapiens EC50 > 30000 nM 26177446
NPT139 Cell Line HT-29 Homo sapiens EC50 > 30000 nM 26177446
NPT83 Cell Line MCF7 Homo sapiens EC50 > 30000 nM 26177446
NPT83 Cell Line MCF7 Homo sapiens IC50 > 100000 nM 26343825
NPT165 Cell Line HeLa Homo sapiens IC50 > 100000 nM 26343825
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 26343825
NPT203 Individual Protein Carboxylesterase 2 Homo sapiens IC50 = 5610 nM 26900660
NPT166 Individual Protein Acyl coenzyme A:cholesterol acyltransferase Homo sapiens IC50 = 22360 nM 26900660
NPT2 Others Unspecified Ratio IC50 = 4 26900660

  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 NPC295643 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 NPC214756
1.0 High Similarity NPC272075
0.9884 High Similarity NPC158030
0.9884 High Similarity NPC65120
0.9884 High Similarity NPC145067
0.9884 High Similarity NPC4036
0.9884 High Similarity NPC233455
0.9663 High Similarity NPC98874
0.9659 High Similarity NPC74751
0.9551 High Similarity NPC148523
0.9551 High Similarity NPC139570
0.954 High Similarity NPC291028
0.9535 High Similarity NPC246708
0.9535 High Similarity NPC182797
0.9535 High Similarity NPC52169
0.9535 High Similarity NPC40552
0.9451 High Similarity NPC471966
0.9432 High Similarity NPC474525
0.9432 High Similarity NPC105189
0.9425 High Similarity NPC293048
0.9425 High Similarity NPC130520
0.9425 High Similarity NPC274330
0.9425 High Similarity NPC25906
0.9425 High Similarity NPC198664
0.9425 High Similarity NPC127689
0.9425 High Similarity NPC234346
0.9425 High Similarity NPC143232
0.9425 High Similarity NPC290972
0.9425 High Similarity NPC64872
0.9425 High Similarity NPC121798
0.9425 High Similarity NPC263393
0.9425 High Similarity NPC270768
0.9425 High Similarity NPC470588
0.9425 High Similarity NPC61543
0.9425 High Similarity NPC225585
0.9425 High Similarity NPC59263
0.9419 High Similarity NPC242468
0.9419 High Similarity NPC51700
0.9419 High Similarity NPC68160
0.9419 High Similarity NPC88716
0.9419 High Similarity NPC307426
0.9419 High Similarity NPC102683
0.9419 High Similarity NPC130577
0.9419 High Similarity NPC98442
0.9419 High Similarity NPC171203
0.9419 High Similarity NPC293564
0.9419 High Similarity NPC18064
0.9419 High Similarity NPC142415
0.9341 High Similarity NPC26413
0.9326 High Similarity NPC136313
0.9326 High Similarity NPC86368
0.9326 High Similarity NPC74855
0.9326 High Similarity NPC307335
0.9318 High Similarity NPC227467
0.9318 High Similarity NPC210037
0.9318 High Similarity NPC290614
0.9318 High Similarity NPC120840
0.9318 High Similarity NPC474728
0.9318 High Similarity NPC46441
0.9318 High Similarity NPC477872
0.9318 High Similarity NPC193750
0.9318 High Similarity NPC7260
0.9318 High Similarity NPC126369
0.9318 High Similarity NPC18872
0.9318 High Similarity NPC113989
0.9318 High Similarity NPC273621
0.9318 High Similarity NPC120968
0.9318 High Similarity NPC470589
0.9318 High Similarity NPC130278
0.9318 High Similarity NPC111110
0.931 High Similarity NPC474512
0.931 High Similarity NPC473242
0.931 High Similarity NPC17733
0.931 High Similarity NPC290690
0.931 High Similarity NPC470629
0.931 High Similarity NPC181225
0.9302 High Similarity NPC72638
0.9222 High Similarity NPC91010
0.9222 High Similarity NPC474529
0.9213 High Similarity NPC235884
0.9213 High Similarity NPC324341
0.9213 High Similarity NPC71074
0.9213 High Similarity NPC60755
0.9213 High Similarity NPC966
0.9213 High Similarity NPC306541
0.9213 High Similarity NPC155120
0.9213 High Similarity NPC84319
0.9213 High Similarity NPC52021
0.9213 High Similarity NPC6255
0.9213 High Similarity NPC472149
0.9213 High Similarity NPC25299
0.9213 High Similarity NPC282616
0.9213 High Similarity NPC288833
0.9213 High Similarity NPC471588
0.9213 High Similarity NPC300351
0.9213 High Similarity NPC77099
0.9213 High Similarity NPC187722
0.9213 High Similarity NPC38754
0.9213 High Similarity NPC228784
0.9213 High Similarity NPC285184
0.9213 High Similarity NPC470590
0.9205 High Similarity NPC95246
0.9205 High Similarity NPC474972
0.9205 High Similarity NPC161751
0.9205 High Similarity NPC30522
0.9186 High Similarity NPC133954
0.913 High Similarity NPC89225
0.9121 High Similarity NPC474727
0.9111 High Similarity NPC118519
0.9111 High Similarity NPC202728
0.9111 High Similarity NPC49776
0.9111 High Similarity NPC298554
0.9111 High Similarity NPC275809
0.9111 High Similarity NPC229281
0.9111 High Similarity NPC158059
0.9111 High Similarity NPC118490
0.9111 High Similarity NPC63118
0.9111 High Similarity NPC474436
0.9101 High Similarity NPC49320
0.9101 High Similarity NPC86372
0.9101 High Similarity NPC172361
0.908 High Similarity NPC213412
0.908 High Similarity NPC74363
0.908 High Similarity NPC73038
0.908 High Similarity NPC475862
0.907 High Similarity NPC96095
0.9022 High Similarity NPC62516
0.9022 High Similarity NPC157113
0.9022 High Similarity NPC230151
0.9022 High Similarity NPC327179
0.9022 High Similarity NPC167193
0.9022 High Similarity NPC472806
0.9011 High Similarity NPC32407
0.9011 High Similarity NPC222047
0.9011 High Similarity NPC191412
0.9011 High Similarity NPC296164
0.9011 High Similarity NPC231063
0.9011 High Similarity NPC145667
0.9011 High Similarity NPC78580
0.9011 High Similarity NPC23621
0.9011 High Similarity NPC299996
0.9011 High Similarity NPC88116
0.9011 High Similarity NPC20235
0.9011 High Similarity NPC263548
0.9011 High Similarity NPC184006
0.9011 High Similarity NPC209868
0.9011 High Similarity NPC159365
0.9011 High Similarity NPC282395
0.9011 High Similarity NPC114159
0.9011 High Similarity NPC6818
0.9 High Similarity NPC475708
0.8989 High Similarity NPC474686
0.8989 High Similarity NPC281524
0.8977 High Similarity NPC46912
0.8977 High Similarity NPC162107
0.8977 High Similarity NPC73064
0.8977 High Similarity NPC173089
0.8977 High Similarity NPC71507
0.8977 High Similarity NPC158141
0.8947 High Similarity NPC476890
0.8925 High Similarity NPC476878
0.8925 High Similarity NPC259788
0.8925 High Similarity NPC473456
0.8925 High Similarity NPC476879
0.8925 High Similarity NPC255589
0.8913 High Similarity NPC473240
0.8913 High Similarity NPC23241
0.8913 High Similarity NPC195715
0.8913 High Similarity NPC198245
0.8913 High Similarity NPC96916
0.8901 High Similarity NPC133579
0.8901 High Similarity NPC474806
0.8889 High Similarity NPC198818
0.8876 High Similarity NPC472802
0.8876 High Similarity NPC474511
0.8876 High Similarity NPC230387
0.8876 High Similarity NPC1753
0.8864 High Similarity NPC9892
0.8864 High Similarity NPC10005
0.8864 High Similarity NPC477579
0.8864 High Similarity NPC91525
0.8864 High Similarity NPC158393
0.8864 High Similarity NPC56588
0.8864 High Similarity NPC235341
0.8864 High Similarity NPC329943
0.8864 High Similarity NPC325594
0.8864 High Similarity NPC95594
0.8854 High Similarity NPC476889
0.8851 High Similarity NPC180834
0.8851 High Similarity NPC171789
0.8842 High Similarity NPC476888
0.8842 High Similarity NPC93744
0.8837 High Similarity NPC163236
0.883 High Similarity NPC260149
0.883 High Similarity NPC188833
0.883 High Similarity NPC164349
0.883 High Similarity NPC58942
0.883 High Similarity NPC478056
0.8817 High Similarity NPC476327
0.8817 High Similarity NPC132824

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC295643 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
0.9884 High Similarity NPD7515 Phase 2
0.9659 High Similarity NPD7748 Approved
0.9341 High Similarity NPD7902 Approved
0.9011 High Similarity NPD7901 Clinical (unspecified phase)
0.9011 High Similarity NPD7900 Approved
0.8444 Intermediate Similarity NPD3618 Phase 1
0.837 Intermediate Similarity NPD5328 Approved
0.8333 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8276 Intermediate Similarity NPD7645 Phase 2
0.8261 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.8191 Intermediate Similarity NPD6079 Approved
0.8172 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.8119 Intermediate Similarity NPD5739 Approved
0.8119 Intermediate Similarity NPD6675 Approved
0.8119 Intermediate Similarity NPD6402 Approved
0.8119 Intermediate Similarity NPD7128 Approved
0.8105 Intermediate Similarity NPD6399 Phase 3
0.8061 Intermediate Similarity NPD7638 Approved
0.8043 Intermediate Similarity NPD5330 Approved
0.8043 Intermediate Similarity NPD7334 Approved
0.8043 Intermediate Similarity NPD6684 Approved
0.8043 Intermediate Similarity NPD7146 Approved
0.8043 Intermediate Similarity NPD7521 Approved
0.8043 Intermediate Similarity NPD6409 Approved
0.8022 Intermediate Similarity NPD3133 Approved
0.8022 Intermediate Similarity NPD3665 Phase 1
0.8022 Intermediate Similarity NPD3666 Approved
0.8022 Intermediate Similarity NPD4786 Approved
0.8 Intermediate Similarity NPD3667 Approved
0.8 Intermediate Similarity NPD8034 Phase 2
0.8 Intermediate Similarity NPD8035 Phase 2
0.798 Intermediate Similarity NPD7639 Approved
0.798 Intermediate Similarity NPD7640 Approved
0.7961 Intermediate Similarity NPD7320 Approved
0.7961 Intermediate Similarity NPD6899 Approved
0.7961 Intermediate Similarity NPD6881 Approved
0.7959 Intermediate Similarity NPD6084 Phase 2
0.7959 Intermediate Similarity NPD6083 Phase 2
0.7957 Intermediate Similarity NPD3573 Approved
0.7917 Intermediate Similarity NPD4202 Approved
0.7885 Intermediate Similarity NPD6372 Approved
0.7885 Intermediate Similarity NPD6373 Approved
0.7872 Intermediate Similarity NPD6672 Approved
0.7872 Intermediate Similarity NPD5737 Approved
0.7872 Intermediate Similarity NPD6903 Approved
0.7864 Intermediate Similarity NPD5701 Approved
0.7864 Intermediate Similarity NPD5697 Approved
0.7857 Intermediate Similarity NPD4697 Phase 3
0.7857 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD5221 Approved
0.7857 Intermediate Similarity NPD5222 Approved
0.781 Intermediate Similarity NPD7102 Approved
0.781 Intermediate Similarity NPD6883 Approved
0.781 Intermediate Similarity NPD7290 Approved
0.7788 Intermediate Similarity NPD6011 Approved
0.7778 Intermediate Similarity NPD4755 Approved
0.7778 Intermediate Similarity NPD5173 Approved
0.7736 Intermediate Similarity NPD6649 Approved
0.7736 Intermediate Similarity NPD6650 Approved
0.7736 Intermediate Similarity NPD6847 Approved
0.7736 Intermediate Similarity NPD8130 Phase 1
0.7736 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7736 Intermediate Similarity NPD6617 Approved
0.7736 Intermediate Similarity NPD6869 Approved
0.7714 Intermediate Similarity NPD6012 Approved
0.7714 Intermediate Similarity NPD6014 Approved
0.7714 Intermediate Similarity NPD6013 Approved
0.7677 Intermediate Similarity NPD7614 Phase 1
0.7664 Intermediate Similarity NPD8297 Approved
0.7664 Intermediate Similarity NPD6882 Approved
0.7624 Intermediate Similarity NPD4700 Approved
0.7624 Intermediate Similarity NPD5286 Approved
0.7624 Intermediate Similarity NPD4696 Approved
0.7624 Intermediate Similarity NPD5285 Approved
0.7611 Intermediate Similarity NPD8328 Phase 3
0.7604 Intermediate Similarity NPD4753 Phase 2
0.7582 Intermediate Similarity NPD4695 Discontinued
0.7576 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD5695 Phase 3
0.7549 Intermediate Similarity NPD5223 Approved
0.7545 Intermediate Similarity NPD7115 Discovery
0.7525 Intermediate Similarity NPD5696 Approved
0.75 Intermediate Similarity NPD7732 Phase 3
0.7476 Intermediate Similarity NPD5226 Approved
0.7476 Intermediate Similarity NPD5224 Approved
0.7476 Intermediate Similarity NPD4633 Approved
0.7476 Intermediate Similarity NPD5211 Phase 2
0.7476 Intermediate Similarity NPD5225 Approved
0.7474 Intermediate Similarity NPD5279 Phase 3
0.7474 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD6868 Approved
0.7449 Intermediate Similarity NPD6411 Approved
0.7447 Intermediate Similarity NPD3668 Phase 3
0.7431 Intermediate Similarity NPD4632 Approved
0.7423 Intermediate Similarity NPD6904 Approved
0.7423 Intermediate Similarity NPD6673 Approved
0.7423 Intermediate Similarity NPD6080 Approved
0.7419 Intermediate Similarity NPD4223 Phase 3
0.7419 Intermediate Similarity NPD4221 Approved
0.7404 Intermediate Similarity NPD5175 Approved
0.7404 Intermediate Similarity NPD4754 Approved
0.7404 Intermediate Similarity NPD5174 Approved
0.7391 Intermediate Similarity NPD7525 Registered
0.7383 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD5329 Approved
0.7358 Intermediate Similarity NPD6412 Phase 2
0.7333 Intermediate Similarity NPD5141 Approved
0.7333 Intermediate Similarity NPD6117 Approved
0.7321 Intermediate Similarity NPD6335 Approved
0.7308 Intermediate Similarity NPD7632 Discontinued
0.7297 Intermediate Similarity NPD6274 Approved
0.7273 Intermediate Similarity NPD5284 Approved
0.7273 Intermediate Similarity NPD5281 Approved
0.7264 Intermediate Similarity NPD4767 Approved
0.7264 Intermediate Similarity NPD6008 Approved
0.7264 Intermediate Similarity NPD4768 Approved
0.7263 Intermediate Similarity NPD4197 Approved
0.7257 Intermediate Similarity NPD7100 Approved
0.7257 Intermediate Similarity NPD7101 Approved
0.7253 Intermediate Similarity NPD6116 Phase 1
0.7245 Intermediate Similarity NPD6101 Approved
0.7245 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD6317 Approved
0.7232 Intermediate Similarity NPD6009 Approved
0.7228 Intermediate Similarity NPD5210 Approved
0.7228 Intermediate Similarity NPD4629 Approved
0.7188 Intermediate Similarity NPD1694 Approved
0.7184 Intermediate Similarity NPD4225 Approved
0.7174 Intermediate Similarity NPD6118 Approved
0.7174 Intermediate Similarity NPD6115 Approved
0.7174 Intermediate Similarity NPD6114 Approved
0.7174 Intermediate Similarity NPD6697 Approved
0.7174 Intermediate Similarity NPD3617 Approved
0.7168 Intermediate Similarity NPD6313 Approved
0.7168 Intermediate Similarity NPD6314 Approved
0.7158 Intermediate Similarity NPD4788 Approved
0.7143 Intermediate Similarity NPD5208 Approved
0.713 Intermediate Similarity NPD4729 Approved
0.713 Intermediate Similarity NPD5128 Approved
0.713 Intermediate Similarity NPD4730 Approved
0.713 Intermediate Similarity NPD6909 Approved
0.713 Intermediate Similarity NPD6908 Approved
0.713 Intermediate Similarity NPD5168 Approved
0.7129 Intermediate Similarity NPD6001 Approved
0.7113 Intermediate Similarity NPD4689 Approved
0.7113 Intermediate Similarity NPD4623 Approved
0.7113 Intermediate Similarity NPD6098 Approved
0.7113 Intermediate Similarity NPD4693 Phase 3
0.7113 Intermediate Similarity NPD4519 Discontinued
0.7113 Intermediate Similarity NPD4690 Approved
0.7113 Intermediate Similarity NPD5205 Approved
0.7113 Intermediate Similarity NPD4688 Approved
0.7113 Intermediate Similarity NPD4138 Approved
0.7111 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD6050 Approved
0.71 Intermediate Similarity NPD5693 Phase 1
0.708 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7736 Approved
0.7043 Intermediate Similarity NPD6319 Approved
0.7033 Intermediate Similarity NPD6942 Approved
0.7033 Intermediate Similarity NPD7339 Approved
0.7021 Intermediate Similarity NPD8259 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD7604 Phase 2
0.7 Intermediate Similarity NPD5250 Approved
0.7 Intermediate Similarity NPD5248 Approved
0.7 Intermediate Similarity NPD5135 Approved
0.7 Intermediate Similarity NPD5249 Phase 3
0.7 Intermediate Similarity NPD5169 Approved
0.7 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4634 Approved
0.7 Intermediate Similarity NPD5251 Approved
0.7 Intermediate Similarity NPD5692 Phase 3
0.7 Intermediate Similarity NPD5247 Approved
0.6983 Remote Similarity NPD5983 Phase 2
0.6983 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6972 Remote Similarity NPD6686 Approved
0.6957 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7492 Approved
0.6939 Remote Similarity NPD4694 Approved
0.6939 Remote Similarity NPD5280 Approved
0.6939 Remote Similarity NPD5690 Phase 2
0.6937 Remote Similarity NPD5127 Approved
0.6937 Remote Similarity NPD5215 Approved
0.6937 Remote Similarity NPD5217 Approved
0.6937 Remote Similarity NPD5216 Approved
0.6931 Remote Similarity NPD5694 Approved
0.6897 Remote Similarity NPD6059 Approved
0.6897 Remote Similarity NPD6054 Approved
0.6891 Remote Similarity NPD7507 Approved
0.6891 Remote Similarity NPD6336 Discontinued
0.6891 Remote Similarity NPD6616 Approved
0.6889 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6889 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6863 Remote Similarity NPD5779 Approved
0.6863 Remote Similarity NPD5778 Approved
0.6854 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6854 Remote Similarity NPD4137 Phase 3
0.6854 Remote Similarity NPD3700 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   102135
ChEMBL   CHEMBL1271483
ZINC  

Physicochemical Properties

Molecular Weight:  484.36
ALogP:  1.9341
MLogP:  4.43
XLogP:  7.066
# Rotatable Bonds:  11
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  35

Download Data

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