Natural Product: NPC477593

Natural Product ID:  NPC477593
Common Name:   Comnastin B
IUPAC Name:   3-[[(3R,3aR,5aS,6R,7R,9aS,9bR)-3-formyl-3,3a,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl]-4-hydroxybenzoic acid
Synonyms:   comnastin B
Molecular Formula:   C27H38O4
Standard InCHIKey:  JBBYKAGPJLHVPI-VQMVVOJVSA-N
Standard InCHI:  InChI=1S/C27H38O4/c1-17-8-12-25(3)21(10-13-27(5)22(25)9-11-24(27,2)16-28)26(17,4)15-19-14-18(23(30)31)6-7-20(19)29/h6-7,14,16-17,21-22,29H,8-13,15H2,1-5H3,(H,30,31)/t17-,21-,22-,24+,25+,26-,27-/m1/s1
Canonical SMILES:  O=C[C@]1(C)CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC[C@H]([C@@]1(C)Cc1cc(ccc1O)C(=O)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
NPO15743 Nostoc commune Species Nostocaceae Bacteria Mellingen, Switzerland 1965 PMID[10757714]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 32 ppm 10757714
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 16 ppm 10757714
NPT19 Organism Escherichia coli Escherichia coli MIC = 128 ppm 10757714
NPT3469 Organism Biomphalaria glabrata Biomphalaria glabrata MIC = 20 ppm 10757714
NPT91 Cell Line KB Homo sapiens MIC = 0.4 ppm 10757714
NPT492 Cell Line Caco-2 Homo sapiens MIC = 0.18 ppm 10757714

  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 NPC477593 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
0.9773 High Similarity NPC477592
0.9695 High Similarity NPC477594
0.9621 High Similarity NPC477596
0.9485 High Similarity NPC477595
0.9237 High Similarity NPC229894
0.9173 High Similarity NPC18798
0.9167 High Similarity NPC117899
0.9091 High Similarity NPC193203
0.8865 High Similarity NPC477209
0.8759 High Similarity NPC279442
0.8712 High Similarity NPC174991
0.8667 High Similarity NPC3009
0.8623 High Similarity NPC477139
0.8621 High Similarity NPC477208
0.8571 High Similarity NPC142654
0.8478 Intermediate Similarity NPC471851
0.8456 Intermediate Similarity NPC176130
0.8456 Intermediate Similarity NPC78364
0.8456 Intermediate Similarity NPC69424
0.8456 Intermediate Similarity NPC84672
0.8451 Intermediate Similarity NPC234548
0.8451 Intermediate Similarity NPC248287
0.8444 Intermediate Similarity NPC137416
0.8444 Intermediate Similarity NPC137750
0.8435 Intermediate Similarity NPC5568
0.8429 Intermediate Similarity NPC202225
0.8429 Intermediate Similarity NPC194970
0.8425 Intermediate Similarity NPC75295
0.8414 Intermediate Similarity NPC477207
0.8397 Intermediate Similarity NPC474890
0.8397 Intermediate Similarity NPC161943
0.8397 Intermediate Similarity NPC273282
0.8369 Intermediate Similarity NPC475917
0.8358 Intermediate Similarity NPC475192
0.8357 Intermediate Similarity NPC78307
0.8357 Intermediate Similarity NPC49742
0.8346 Intermediate Similarity NPC216216
0.8333 Intermediate Similarity NPC476534
0.8333 Intermediate Similarity NPC276238
0.8333 Intermediate Similarity NPC172311
0.8321 Intermediate Similarity NPC174087
0.8321 Intermediate Similarity NPC72667
0.8311 Intermediate Similarity NPC477483
0.8311 Intermediate Similarity NPC325032
0.8299 Intermediate Similarity NPC258856
0.8299 Intermediate Similarity NPC208293
0.8288 Intermediate Similarity NPC100242
0.8284 Intermediate Similarity NPC253627
0.8284 Intermediate Similarity NPC295034
0.8273 Intermediate Similarity NPC108129
0.8252 Intermediate Similarity NPC475957
0.8248 Intermediate Similarity NPC254492
0.8248 Intermediate Similarity NPC471929
0.8248 Intermediate Similarity NPC471935
0.8248 Intermediate Similarity NPC471930
0.8244 Intermediate Similarity NPC83718
0.8227 Intermediate Similarity NPC475627
0.8227 Intermediate Similarity NPC475457
0.8227 Intermediate Similarity NPC18982
0.8227 Intermediate Similarity NPC475346
0.8222 Intermediate Similarity NPC11250
0.8214 Intermediate Similarity NPC41847
0.8214 Intermediate Similarity NPC476847
0.8207 Intermediate Similarity NPC471853
0.8201 Intermediate Similarity NPC303910
0.8201 Intermediate Similarity NPC171460
0.82 Intermediate Similarity NPC116292
0.82 Intermediate Similarity NPC327962
0.82 Intermediate Similarity NPC179128
0.82 Intermediate Similarity NPC87630
0.82 Intermediate Similarity NPC267469
0.82 Intermediate Similarity NPC162569
0.82 Intermediate Similarity NPC35160
0.8169 Intermediate Similarity NPC474117
0.8169 Intermediate Similarity NPC474224
0.8163 Intermediate Similarity NPC271451
0.8151 Intermediate Similarity NPC2681
0.8151 Intermediate Similarity NPC477275
0.8151 Intermediate Similarity NPC272907
0.8148 Intermediate Similarity NPC162935
0.8148 Intermediate Similarity NPC249340
0.8146 Intermediate Similarity NPC140133
0.8133 Intermediate Similarity NPC17600
0.8133 Intermediate Similarity NPC477206
0.8129 Intermediate Similarity NPC96024
0.8129 Intermediate Similarity NPC473744
0.8125 Intermediate Similarity NPC170718
0.8116 Intermediate Similarity NPC473751
0.8116 Intermediate Similarity NPC204579
0.8112 Intermediate Similarity NPC279463
0.8112 Intermediate Similarity NPC474076
0.8112 Intermediate Similarity NPC477874
0.8112 Intermediate Similarity NPC173569
0.8105 Intermediate Similarity NPC470102
0.8105 Intermediate Similarity NPC62051
0.8102 Intermediate Similarity NPC184219
0.8102 Intermediate Similarity NPC199273
0.8102 Intermediate Similarity NPC265413
0.8102 Intermediate Similarity NPC10154
0.8095 Intermediate Similarity NPC184935
0.8095 Intermediate Similarity NPC248068
0.8092 Intermediate Similarity NPC124842
0.8092 Intermediate Similarity NPC48671
0.8088 Intermediate Similarity NPC121168
0.8088 Intermediate Similarity NPC67300
0.8082 Intermediate Similarity NPC315578
0.8082 Intermediate Similarity NPC469911
0.8079 Intermediate Similarity NPC247219
0.8079 Intermediate Similarity NPC52931
0.8074 Intermediate Similarity NPC241001
0.8074 Intermediate Similarity NPC164852
0.8071 Intermediate Similarity NPC194979
0.8069 Intermediate Similarity NPC20210
0.8067 Intermediate Similarity NPC66991
0.806 Intermediate Similarity NPC42657
0.8056 Intermediate Similarity NPC118919
0.8056 Intermediate Similarity NPC299734
0.8056 Intermediate Similarity NPC249817
0.8054 Intermediate Similarity NPC8102
0.8054 Intermediate Similarity NPC66894
0.8043 Intermediate Similarity NPC87985
0.8042 Intermediate Similarity NPC293454
0.8042 Intermediate Similarity NPC475088
0.8042 Intermediate Similarity NPC11266
0.8038 Intermediate Similarity NPC161151
0.8029 Intermediate Similarity NPC275145
0.8028 Intermediate Similarity NPC175738
0.8028 Intermediate Similarity NPC302844
0.8027 Intermediate Similarity NPC91019
0.8027 Intermediate Similarity NPC106519
0.8026 Intermediate Similarity NPC470037
0.8026 Intermediate Similarity NPC37642
0.8014 Intermediate Similarity NPC112789
0.8014 Intermediate Similarity NPC245395
0.8014 Intermediate Similarity NPC72915
0.8014 Intermediate Similarity NPC162939
0.8014 Intermediate Similarity NPC26924
0.8014 Intermediate Similarity NPC19622
0.8 Intermediate Similarity NPC198621
0.8 Intermediate Similarity NPC286038
0.8 Intermediate Similarity NPC63918
0.8 Intermediate Similarity NPC53001
0.8 Intermediate Similarity NPC475482
0.8 Intermediate Similarity NPC36868
0.8 Intermediate Similarity NPC216940
0.8 Intermediate Similarity NPC318552
0.8 Intermediate Similarity NPC190501
0.8 Intermediate Similarity NPC22676
0.7987 Intermediate Similarity NPC260152
0.7986 Intermediate Similarity NPC71610
0.7986 Intermediate Similarity NPC278375
0.7986 Intermediate Similarity NPC290803
0.7986 Intermediate Similarity NPC269598
0.7986 Intermediate Similarity NPC110211
0.7974 Intermediate Similarity NPC475093
0.7974 Intermediate Similarity NPC477276
0.7974 Intermediate Similarity NPC11892
0.7973 Intermediate Similarity NPC308572
0.7972 Intermediate Similarity NPC48929
0.7972 Intermediate Similarity NPC126516
0.7972 Intermediate Similarity NPC180261
0.7972 Intermediate Similarity NPC37299
0.7972 Intermediate Similarity NPC111845
0.7972 Intermediate Similarity NPC329913
0.7971 Intermediate Similarity NPC12818
0.7961 Intermediate Similarity NPC212257
0.7959 Intermediate Similarity NPC169452
0.7959 Intermediate Similarity NPC3218
0.7959 Intermediate Similarity NPC470035
0.7959 Intermediate Similarity NPC168471
0.7959 Intermediate Similarity NPC181560
0.7959 Intermediate Similarity NPC275903
0.7958 Intermediate Similarity NPC93015
0.7958 Intermediate Similarity NPC473777
0.7958 Intermediate Similarity NPC291001
0.7958 Intermediate Similarity NPC125153
0.7958 Intermediate Similarity NPC85342
0.7956 Intermediate Similarity NPC282577
0.7945 Intermediate Similarity NPC230811
0.7945 Intermediate Similarity NPC473622
0.7945 Intermediate Similarity NPC4214
0.7945 Intermediate Similarity NPC87723
0.7943 Intermediate Similarity NPC99731
0.7943 Intermediate Similarity NPC131684
0.7943 Intermediate Similarity NPC288290
0.7943 Intermediate Similarity NPC476119
0.7941 Intermediate Similarity NPC190971
0.7937 Intermediate Similarity NPC200726
0.7935 Intermediate Similarity NPC472807
0.7933 Intermediate Similarity NPC470038
0.7933 Intermediate Similarity NPC97188
0.7933 Intermediate Similarity NPC478160
0.7931 Intermediate Similarity NPC191976
0.7931 Intermediate Similarity NPC472308
0.7929 Intermediate Similarity NPC262936
0.7929 Intermediate Similarity NPC51448
0.7929 Intermediate Similarity NPC115797
0.7929 Intermediate Similarity NPC30491
0.7926 Intermediate Similarity NPC473767
0.7926 Intermediate Similarity NPC31296

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477593 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
0.8085 Intermediate Similarity NPD6663 Approved
0.8058 Intermediate Similarity NPD5736 Approved
0.8 Intermediate Similarity NPD3019 Approved
0.7961 Intermediate Similarity NPD7458 Discontinued
0.7905 Intermediate Similarity NPD7003 Approved
0.7877 Intermediate Similarity NPD5404 Approved
0.7877 Intermediate Similarity NPD5406 Approved
0.7877 Intermediate Similarity NPD5408 Approved
0.7877 Intermediate Similarity NPD5405 Approved
0.7868 Intermediate Similarity NPD2932 Approved
0.7838 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7794 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7762 Intermediate Similarity NPD3764 Approved
0.7687 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD5951 Approved
0.7667 Intermediate Similarity NPD8166 Discontinued
0.7667 Intermediate Similarity NPD4628 Phase 3
0.766 Intermediate Similarity NPD1470 Approved
0.7647 Intermediate Similarity NPD6273 Approved
0.7626 Intermediate Similarity NPD1201 Approved
0.7595 Intermediate Similarity NPD8438 Clinical (unspecified phase)
0.7591 Intermediate Similarity NPD9545 Approved
0.7582 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7566 Intermediate Similarity NPD7236 Approved
0.7557 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD3023 Approved
0.7554 Intermediate Similarity NPD3026 Approved
0.7536 Intermediate Similarity NPD3024 Approved
0.7536 Intermediate Similarity NPD3025 Approved
0.7535 Intermediate Similarity NPD1164 Approved
0.75 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD3091 Approved
0.7448 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD7819 Suspended
0.7403 Intermediate Similarity NPD7390 Discontinued
0.74 Intermediate Similarity NPD2935 Discontinued
0.7376 Intermediate Similarity NPD3092 Approved
0.7362 Intermediate Similarity NPD8127 Discontinued
0.7361 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7357 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2799 Discontinued
0.7329 Intermediate Similarity NPD7768 Phase 2
0.7325 Intermediate Similarity NPD7239 Suspended
0.7312 Intermediate Similarity NPD5761 Phase 2
0.7312 Intermediate Similarity NPD5760 Phase 2
0.7296 Intermediate Similarity NPD7411 Suspended
0.7292 Intermediate Similarity NPD3094 Phase 2
0.7289 Intermediate Similarity NPD7473 Discontinued
0.7284 Intermediate Similarity NPD7075 Discontinued
0.7267 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD2532 Approved
0.7244 Intermediate Similarity NPD2533 Approved
0.7244 Intermediate Similarity NPD2534 Approved
0.7237 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD4059 Approved
0.7234 Intermediate Similarity NPD3095 Discontinued
0.723 Intermediate Similarity NPD8032 Phase 2
0.7222 Intermediate Similarity NPD1876 Approved
0.7219 Intermediate Similarity NPD1510 Phase 2
0.7212 Intermediate Similarity NPD6232 Discontinued
0.7211 Intermediate Similarity NPD7008 Discontinued
0.7208 Intermediate Similarity NPD3750 Approved
0.7208 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD3972 Approved
0.719 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD3226 Approved
0.717 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7610 Discontinued
0.7134 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD6355 Discontinued
0.7126 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD6599 Discontinued
0.7114 Intermediate Similarity NPD7961 Discontinued
0.7103 Intermediate Similarity NPD1283 Approved
0.7101 Intermediate Similarity NPD5844 Phase 1
0.7086 Intermediate Similarity NPD1607 Approved
0.7071 Intermediate Similarity NPD9493 Approved
0.7067 Intermediate Similarity NPD1240 Approved
0.7067 Intermediate Similarity NPD943 Approved
0.7067 Intermediate Similarity NPD4140 Approved
0.7059 Intermediate Similarity NPD1551 Phase 2
0.7047 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD4380 Phase 2
0.7013 Intermediate Similarity NPD2346 Discontinued
0.7007 Intermediate Similarity NPD2798 Approved
0.6993 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6993 Remote Similarity NPD4626 Approved
0.6992 Remote Similarity NPD1929 Approved
0.6992 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6992 Remote Similarity NPD1930 Approved
0.6985 Remote Similarity NPD9266 Approved
0.6985 Remote Similarity NPD74 Approved
0.6977 Remote Similarity NPD6765 Approved
0.6977 Remote Similarity NPD6764 Approved
0.6974 Remote Similarity NPD6651 Approved
0.6971 Remote Similarity NPD8434 Phase 2
0.697 Remote Similarity NPD3749 Approved
0.6968 Remote Similarity NPD1549 Phase 2
0.6962 Remote Similarity NPD6143 Clinical (unspecified phase)
0.695 Remote Similarity NPD405 Clinical (unspecified phase)
0.6948 Remote Similarity NPD6099 Approved
0.6948 Remote Similarity NPD6100 Approved
0.6941 Remote Similarity NPD7177 Discontinued
0.6939 Remote Similarity NPD2797 Approved
0.6933 Remote Similarity NPD3268 Approved
0.6933 Remote Similarity NPD6801 Discontinued
0.6933 Remote Similarity NPD2313 Discontinued
0.6914 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6912 Remote Similarity NPD9263 Approved
0.6912 Remote Similarity NPD9264 Approved
0.6912 Remote Similarity NPD9267 Approved
0.6909 Remote Similarity NPD7057 Phase 3
0.6909 Remote Similarity NPD7058 Phase 2
0.6909 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6908 Remote Similarity NPD230 Phase 1
0.6906 Remote Similarity NPD6858 Approved
0.6906 Remote Similarity NPD7094 Approved
0.6903 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6903 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6903 Remote Similarity NPD2344 Approved
0.6903 Remote Similarity NPD5762 Approved
0.6903 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6903 Remote Similarity NPD5763 Approved
0.6903 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6903 Remote Similarity NPD6004 Phase 3
0.6903 Remote Similarity NPD6005 Phase 3
0.6903 Remote Similarity NPD6002 Phase 3
0.6899 Remote Similarity NPD3300 Phase 2
0.6897 Remote Similarity NPD1281 Approved
0.6894 Remote Similarity NPD3020 Approved
0.689 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6883 Remote Similarity NPD7033 Discontinued
0.6883 Remote Similarity NPD4308 Phase 3
0.6883 Remote Similarity NPD3748 Approved
0.6883 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6879 Remote Similarity NPD3400 Discontinued
0.6875 Remote Similarity NPD8150 Discontinued
0.6855 Remote Similarity NPD6799 Approved
0.6853 Remote Similarity NPD7741 Discontinued
0.6849 Remote Similarity NPD9269 Phase 2
0.6849 Remote Similarity NPD1608 Approved
0.6845 Remote Similarity NPD7199 Phase 2
0.6845 Remote Similarity NPD6959 Discontinued
0.6842 Remote Similarity NPD4060 Phase 1
0.6842 Remote Similarity NPD7799 Discontinued
0.6842 Remote Similarity NPD2979 Phase 3
0.6839 Remote Similarity NPD2796 Approved
0.6839 Remote Similarity NPD4477 Approved
0.6839 Remote Similarity NPD4476 Approved
0.6835 Remote Similarity NPD6190 Approved
0.6835 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6832 Remote Similarity NPD920 Approved
0.6828 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6821 Remote Similarity NPD6798 Discontinued
0.6818 Remote Similarity NPD6784 Approved
0.6818 Remote Similarity NPD6785 Approved
0.6815 Remote Similarity NPD2800 Approved
0.681 Remote Similarity NPD7028 Phase 2
0.6809 Remote Similarity NPD2629 Approved
0.6806 Remote Similarity NPD5691 Approved
0.6806 Remote Similarity NPD9268 Approved
0.6805 Remote Similarity NPD7229 Phase 3
0.68 Remote Similarity NPD6832 Phase 2
0.6798 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6794 Remote Similarity NPD1809 Phase 2
0.6792 Remote Similarity NPD643 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7635 Approved
0.6782 Remote Similarity NPD7685 Pre-registration
0.6782 Remote Similarity NPD6559 Discontinued
0.6779 Remote Similarity NPD4624 Approved
0.6774 Remote Similarity NPD651 Clinical (unspecified phase)
0.6774 Remote Similarity NPD7305 Phase 1
0.6772 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6772 Remote Similarity NPD4110 Phase 3
0.6772 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6767 Remote Similarity NPD2066 Phase 3
0.6765 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6738 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6736 Remote Similarity NPD7009 Phase 2
0.6733 Remote Similarity NPD9494 Approved
0.6733 Remote Similarity NPD4208 Discontinued
0.673 Remote Similarity NPD2309 Approved
0.6728 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6727 Remote Similarity NPD37 Approved
0.6722 Remote Similarity NPD7879 Clinical (unspecified phase)
0.672 Remote Similarity NPD7497 Discontinued
0.6718 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6711 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6711 Remote Similarity NPD1203 Approved
0.6708 Remote Similarity NPD642 Clinical (unspecified phase)
0.6706 Remote Similarity NPD5710 Approved
0.6706 Remote Similarity NPD5711 Approved
0.6705 Remote Similarity NPD8312 Approved
0.6705 Remote Similarity NPD8313 Approved
0.6705 Remote Similarity NPD6020 Phase 2
0.669 Remote Similarity NPD9281 Approved

Structure

External Identifiers

PubChem CID   44583752
ChEMBL   CHEMBL496246
ZINC  

Physicochemical Properties

Molecular Weight:  426.28
ALogP:  1.4781
MLogP:  3.99
XLogP:  8.614
# Rotatable Bonds:  11
Polar Surface Area:  74.6
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  31

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs