Natural Product: NPC25897

Natural Product ID:  NPC25897
Common Name:   Kealiinine A
IUPAC Name:   2-amino-6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol
Synonyms:  
Molecular Formula:   C20H19N3O3
Standard InCHIKey:  LWHVSHIPEZJGGL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C20H19N3O3/c1-23-15-8-12-9-17(26-3)16(24)10-14(12)18(19(15)22-20(23)21)11-4-6-13(25-2)7-5-11/h4-10,24H,1-3H3,(H2,21,22)
Canonical SMILES:  COc1ccc(cc1)c1c2cc(O)c(cc2cc2c1[nH]c(=N)n2C)OC
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
NPO29255 Salvia chinensis Species Lamiaceae Eukaryota UNPD*
NPO24421.1 Agave salmiana var. ferox Varieties Asparagaceae Eukaryota UNPD*
NPO29473 Amycolatopsis mediterranei Species Pseudonocardiaceae Bacteria UNPD*
NPO25094 Artemisia princeps Species Asteraceae Eukaryota UNPD*
NPO29124 Argemone squarrosa Species Papaveraceae Eukaryota UNPD*
NPO28861 Cladonia graciliformis Species Cladoniaceae Eukaryota UNPD*
NPO29509 Leucetta chagosensis Species Leucettidae Eukaryota UNPD*
NPO28968 Teucrium flavum Species Lamiaceae Eukaryota UNPD*
NPO24342 Lupinus albus Species Fabaceae Eukaryota UNPD*
NPO29434 Centaurea involucrata Species Asteraceae Eukaryota UNPD*
NPO17683 Cryptocarya moschata Species Lauraceae Eukaryota UNPD*
NPO644 Pseudopestalotiopsis theae Species Sporocadaceae Eukaryota UNPD*
NPO29043 Hypoxylon oceanicum Species Xylariaceae Eukaryota UNPD*
NPO29238 Heterocondylus vitalbae Species Asteraceae Eukaryota UNPD*
NPO29025 Streptomyces nojiriensis Species Streptomycetaceae Bacteria UNPD*
NPO29065 Hypoxis rooperi Species Hypoxidaceae Eukaryota UNPD*
NPO29470 Anhalonium fissuratum NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT176 Organism Artemia salina Artemia salina Activity = 50 % 15165143
NPT83 Cell Line MCF7 Homo sapiens IC50 = 23400 nM 24076171

  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 NPC25897 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
0.9605 High Similarity NPC79213
0.8995 High Similarity NPC261388
0.8289 Intermediate Similarity NPC276674
0.8289 Intermediate Similarity NPC33902
0.8105 Intermediate Similarity NPC320088
0.7969 Intermediate Similarity NPC474904
0.7914 Intermediate Similarity NPC285941
0.776 Intermediate Similarity NPC249405
0.7732 Intermediate Similarity NPC477186
0.7696 Intermediate Similarity NPC207873
0.7696 Intermediate Similarity NPC190461
0.7696 Intermediate Similarity NPC100573
0.7656 Intermediate Similarity NPC311936
0.7644 Intermediate Similarity NPC287588
0.7617 Intermediate Similarity NPC119579
0.7602 Intermediate Similarity NPC312531
0.7577 Intermediate Similarity NPC28425
0.7576 Intermediate Similarity NPC78284
0.7526 Intermediate Similarity NPC179704
0.7512 Intermediate Similarity NPC17677
0.7487 Intermediate Similarity NPC24954
0.7475 Intermediate Similarity NPC212163
0.7474 Intermediate Similarity NPC215747
0.7474 Intermediate Similarity NPC192939
0.7473 Intermediate Similarity NPC13397
0.7461 Intermediate Similarity NPC265383
0.746 Intermediate Similarity NPC35627
0.746 Intermediate Similarity NPC81247
0.746 Intermediate Similarity NPC476573
0.744 Intermediate Similarity NPC90185
0.7433 Intermediate Similarity NPC27410
0.7433 Intermediate Similarity NPC166014
0.7423 Intermediate Similarity NPC260118
0.7413 Intermediate Similarity NPC162653
0.7402 Intermediate Similarity NPC295676
0.7374 Intermediate Similarity NPC22928
0.7366 Intermediate Similarity NPC186063
0.7323 Intermediate Similarity NPC219170
0.7323 Intermediate Similarity NPC180253
0.7317 Intermediate Similarity NPC471489
0.7302 Intermediate Similarity NPC247251
0.7297 Intermediate Similarity NPC26601
0.7295 Intermediate Similarity NPC244606
0.7295 Intermediate Similarity NPC156728
0.7268 Intermediate Similarity NPC477020
0.7268 Intermediate Similarity NPC66341
0.7268 Intermediate Similarity NPC192135
0.7263 Intermediate Similarity NPC324144
0.7254 Intermediate Similarity NPC69712
0.7254 Intermediate Similarity NPC26240
0.7254 Intermediate Similarity NPC477562
0.725 Intermediate Similarity NPC296742
0.725 Intermediate Similarity NPC112676
0.7243 Intermediate Similarity NPC277669
0.7243 Intermediate Similarity NPC76213
0.724 Intermediate Similarity NPC306555
0.724 Intermediate Similarity NPC158376
0.724 Intermediate Similarity NPC298979
0.724 Intermediate Similarity NPC12053
0.724 Intermediate Similarity NPC117188
0.724 Intermediate Similarity NPC145832
0.724 Intermediate Similarity NPC210140
0.724 Intermediate Similarity NPC81218
0.724 Intermediate Similarity NPC205421
0.724 Intermediate Similarity NPC474931
0.7236 Intermediate Similarity NPC69213
0.723 Intermediate Similarity NPC298449
0.7228 Intermediate Similarity NPC302001
0.7225 Intermediate Similarity NPC196447
0.7225 Intermediate Similarity NPC306843
0.7225 Intermediate Similarity NPC477563
0.7225 Intermediate Similarity NPC253043
0.7225 Intermediate Similarity NPC212794
0.7225 Intermediate Similarity NPC13504
0.7225 Intermediate Similarity NPC136508
0.7225 Intermediate Similarity NPC78222
0.7225 Intermediate Similarity NPC96603
0.7222 Intermediate Similarity NPC276060
0.7213 Intermediate Similarity NPC191376
0.7213 Intermediate Similarity NPC179825
0.7213 Intermediate Similarity NPC321505
0.72 Intermediate Similarity NPC224293
0.7186 Intermediate Similarity NPC135772
0.7178 Intermediate Similarity NPC294244
0.7175 Intermediate Similarity NPC473182
0.7174 Intermediate Similarity NPC476571
0.7174 Intermediate Similarity NPC24233
0.7174 Intermediate Similarity NPC428
0.7174 Intermediate Similarity NPC135538
0.7174 Intermediate Similarity NPC147390
0.7174 Intermediate Similarity NPC246587
0.7173 Intermediate Similarity NPC1229
0.7172 Intermediate Similarity NPC155442
0.7172 Intermediate Similarity NPC476574
0.7172 Intermediate Similarity NPC477561
0.7172 Intermediate Similarity NPC312918
0.7165 Intermediate Similarity NPC152212
0.7157 Intermediate Similarity NPC114364
0.7157 Intermediate Similarity NPC320223
0.7156 Intermediate Similarity NPC280272
0.715 Intermediate Similarity NPC471604
0.715 Intermediate Similarity NPC85482
0.7143 Intermediate Similarity NPC199465
0.7143 Intermediate Similarity NPC128560
0.7143 Intermediate Similarity NPC229166
0.7135 Intermediate Similarity NPC207824
0.7135 Intermediate Similarity NPC134858
0.7135 Intermediate Similarity NPC219162
0.7135 Intermediate Similarity NPC60538
0.7122 Intermediate Similarity NPC161804
0.7121 Intermediate Similarity NPC474507
0.7113 Intermediate Similarity NPC477185
0.7107 Intermediate Similarity NPC148709
0.7107 Intermediate Similarity NPC173416
0.7107 Intermediate Similarity NPC476577
0.7104 Intermediate Similarity NPC185838
0.7092 Intermediate Similarity NPC477187
0.709 Intermediate Similarity NPC126519
0.709 Intermediate Similarity NPC203784
0.709 Intermediate Similarity NPC170503
0.7087 Intermediate Similarity NPC23080
0.7087 Intermediate Similarity NPC193906
0.7083 Intermediate Similarity NPC233650
0.7077 Intermediate Similarity NPC118274
0.7077 Intermediate Similarity NPC168753
0.7074 Intermediate Similarity NPC477564
0.7074 Intermediate Similarity NPC2295
0.7062 Intermediate Similarity NPC193777
0.7059 Intermediate Similarity NPC326316
0.7059 Intermediate Similarity NPC81733
0.7056 Intermediate Similarity NPC119722
0.7056 Intermediate Similarity NPC477558
0.7043 Intermediate Similarity NPC477565
0.7043 Intermediate Similarity NPC103379
0.7041 Intermediate Similarity NPC239775
0.7033 Intermediate Similarity NPC199277
0.7033 Intermediate Similarity NPC135887
0.7031 Intermediate Similarity NPC60186
0.7027 Intermediate Similarity NPC253883
0.7027 Intermediate Similarity NPC95075
0.7027 Intermediate Similarity NPC90844
0.7024 Intermediate Similarity NPC29472
0.7023 Intermediate Similarity NPC266931
0.7016 Intermediate Similarity NPC230942
0.7016 Intermediate Similarity NPC315498
0.701 Intermediate Similarity NPC304659
0.701 Intermediate Similarity NPC86144
0.7005 Intermediate Similarity NPC151895
0.7005 Intermediate Similarity NPC88249
0.7005 Intermediate Similarity NPC220858
0.7005 Intermediate Similarity NPC192768
0.7005 Intermediate Similarity NPC97221
0.7004 Intermediate Similarity NPC473183
0.7 Intermediate Similarity NPC147091
0.6995 Remote Similarity NPC186546
0.6995 Remote Similarity NPC476576
0.6991 Remote Similarity NPC473184
0.6989 Remote Similarity NPC130941
0.6984 Remote Similarity NPC292003
0.6979 Remote Similarity NPC249274
0.6979 Remote Similarity NPC205167
0.6979 Remote Similarity NPC266753
0.6979 Remote Similarity NPC232924
0.6979 Remote Similarity NPC160298
0.6979 Remote Similarity NPC477559
0.6979 Remote Similarity NPC306902
0.6974 Remote Similarity NPC150879
0.6972 Remote Similarity NPC204446
0.6968 Remote Similarity NPC52475
0.6965 Remote Similarity NPC116284
0.6963 Remote Similarity NPC269449
0.6959 Remote Similarity NPC284183
0.6959 Remote Similarity NPC4138
0.6959 Remote Similarity NPC121275
0.6954 Remote Similarity NPC475215
0.6954 Remote Similarity NPC108434
0.6947 Remote Similarity NPC172765
0.6947 Remote Similarity NPC127674
0.6947 Remote Similarity NPC276588
0.6947 Remote Similarity NPC54379
0.6947 Remote Similarity NPC469817
0.6947 Remote Similarity NPC5238
0.6947 Remote Similarity NPC193949
0.6947 Remote Similarity NPC39701
0.6947 Remote Similarity NPC278799
0.6947 Remote Similarity NPC207757
0.6947 Remote Similarity NPC204828
0.6947 Remote Similarity NPC110416
0.6947 Remote Similarity NPC189266
0.6947 Remote Similarity NPC295691
0.6947 Remote Similarity NPC249797
0.6947 Remote Similarity NPC2413
0.6947 Remote Similarity NPC184026
0.6935 Remote Similarity NPC476151
0.6931 Remote Similarity NPC133011
0.6931 Remote Similarity NPC82285
0.6931 Remote Similarity NPC18614
0.6927 Remote Similarity NPC111485
0.6923 Remote Similarity NPC317272
0.6923 Remote Similarity NPC250846

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC25897 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
0.7914 Intermediate Similarity NPD5810 Discontinued
0.77 Intermediate Similarity NPD6612 Phase 2
0.7592 Intermediate Similarity NPD7479 Phase 2
0.7451 Intermediate Similarity NPD3515 Approved
0.7451 Intermediate Similarity NPD3516 Approved
0.7436 Intermediate Similarity NPD5917 Clinical (unspecified phase)
0.7435 Intermediate Similarity NPD7032 Approved
0.7344 Intermediate Similarity NPD5966 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD4083 Discontinued
0.7313 Intermediate Similarity NPD6046 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD3408 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD7262 Phase 1
0.7225 Intermediate Similarity NPD3983 Phase 3
0.7225 Intermediate Similarity NPD3984 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD1909 Discontinued
0.7175 Intermediate Similarity NPD4080 Discontinued
0.7173 Intermediate Similarity NPD6767 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3301 Approved
0.7103 Intermediate Similarity NPD4356 Discontinued
0.7094 Intermediate Similarity NPD3633 Approved
0.7094 Intermediate Similarity NPD3634 Approved
0.7044 Intermediate Similarity NPD6656 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD5641 Discontinued
0.7037 Intermediate Similarity NPD8149 Discontinued
0.7031 Intermediate Similarity NPD4796 Discontinued
0.7028 Intermediate Similarity NPD5658 Approved
0.7026 Intermediate Similarity NPD6607 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD3290 Approved
0.7019 Intermediate Similarity NPD3289 Phase 3
0.7016 Intermediate Similarity NPD1742 Approved
0.7016 Intermediate Similarity NPD19 Approved
0.7016 Intermediate Similarity NPD1743 Approved
0.7015 Intermediate Similarity NPD6340 Approved
0.7015 Intermediate Similarity NPD6339 Approved
0.7014 Intermediate Similarity NPD5530 Phase 1
0.7005 Intermediate Similarity NPD5600 Discontinued
0.6971 Remote Similarity NPD6773 Clinical (unspecified phase)
0.6948 Remote Similarity NPD4859 Phase 1
0.6947 Remote Similarity NPD7922 Phase 1
0.6919 Remote Similarity NPD6480 Clinical (unspecified phase)
0.6915 Remote Similarity NPD2883 Discontinued
0.6904 Remote Similarity NPD5938 Phase 3
0.6898 Remote Similarity NPD7225 Discontinued
0.6882 Remote Similarity NPD2420 Approved
0.6882 Remote Similarity NPD2421 Approved
0.6875 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6527 Approved
0.6865 Remote Similarity NPD5241 Discontinued
0.6833 Remote Similarity NPD5070 Clinical (unspecified phase)
0.6829 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6828 Remote Similarity NPD3845 Phase 1
0.6828 Remote Similarity NPD2422 Clinical (unspecified phase)
0.6825 Remote Similarity NPD4511 Phase 1
0.6816 Remote Similarity NPD7149 Clinical (unspecified phase)
0.68 Remote Similarity NPD3920 Phase 2
0.6798 Remote Similarity NPD6723 Discontinued
0.6793 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6788 Remote Similarity NPD2358 Clinical (unspecified phase)
0.678 Remote Similarity NPD3349 Phase 2
0.678 Remote Similarity NPD3398 Discontinued
0.6772 Remote Similarity NPD6030 Approved
0.6772 Remote Similarity NPD6031 Approved
0.6771 Remote Similarity NPD1954 Phase 1
0.6766 Remote Similarity NPD6996 Clinical (unspecified phase)
0.6762 Remote Similarity NPD6877 Discontinued
0.6744 Remote Similarity NPD7263 Phase 2
0.6741 Remote Similarity NPD7278 Phase 2
0.6741 Remote Similarity NPD7279 Phase 2
0.6736 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6735 Remote Similarity NPD7201 Clinical (unspecified phase)
0.6731 Remote Similarity NPD3631 Phase 3
0.6731 Remote Similarity NPD6526 Approved
0.6718 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6718 Remote Similarity NPD7831 Phase 2
0.6718 Remote Similarity NPD7833 Phase 2
0.6714 Remote Similarity NPD7034 Discontinued
0.6703 Remote Similarity NPD4597 Approved
0.6703 Remote Similarity NPD4598 Approved
0.6701 Remote Similarity NPD4986 Clinical (unspecified phase)
0.6683 Remote Similarity NPD2898 Approved
0.6683 Remote Similarity NPD2489 Approved
0.6683 Remote Similarity NPD27 Approved
0.6682 Remote Similarity NPD5071 Phase 2
0.6682 Remote Similarity NPD3804 Discontinued
0.6681 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5560 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7453 Approved
0.6667 Remote Similarity NPD7222 Phase 2
0.6667 Remote Similarity NPD7452 Approved
0.6667 Remote Similarity NPD5582 Discontinued
0.6667 Remote Similarity NPD2794 Discontinued
0.6667 Remote Similarity NPD4581 Clinical (unspecified phase)
0.6652 Remote Similarity NPD7726 Phase 1
0.6651 Remote Similarity NPD5645 Phase 3
0.6651 Remote Similarity NPD5150 Phase 2
0.665 Remote Similarity NPD6037 Discontinued
0.6649 Remote Similarity NPD6738 Phase 2
0.6649 Remote Similarity NPD6737 Phase 2
0.6649 Remote Similarity NPD814 Clinical (unspecified phase)
0.6633 Remote Similarity NPD3975 Discontinued
0.6632 Remote Similarity NPD2468 Approved
0.6632 Remote Similarity NPD2469 Approved
0.6617 Remote Similarity NPD4498 Clinical (unspecified phase)
0.6615 Remote Similarity NPD6357 Discontinued
0.6615 Remote Similarity NPD6063 Approved
0.6615 Remote Similarity NPD5599 Discontinued
0.661 Remote Similarity NPD6230 Discontinued
0.6607 Remote Similarity NPD7858 Clinical (unspecified phase)
0.6607 Remote Similarity NPD5930 Phase 3
0.6603 Remote Similarity NPD3922 Approved
0.6603 Remote Similarity NPD3921 Approved
0.6603 Remote Similarity NPD3924 Approved
0.6603 Remote Similarity NPD3923 Approved
0.6598 Remote Similarity NPD7298 Approved
0.6591 Remote Similarity NPD7178 Clinical (unspecified phase)
0.6589 Remote Similarity NPD6238 Discontinued
0.6584 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6583 Remote Similarity NPD3051 Approved
0.6583 Remote Similarity NPD4010 Discontinued
0.6579 Remote Similarity NPD4584 Approved
0.6579 Remote Similarity NPD1771 Clinical (unspecified phase)
0.6571 Remote Similarity NPD7125 Discontinued
0.657 Remote Similarity NPD4951 Discontinued
0.6564 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6562 Remote Similarity NPD6500 Approved
0.6562 Remote Similarity NPD6501 Approved
0.6558 Remote Similarity NPD3106 Clinical (unspecified phase)
0.6553 Remote Similarity NPD8053 Approved
0.6553 Remote Similarity NPD8054 Approved
0.6552 Remote Similarity NPD5900 Clinical (unspecified phase)
0.655 Remote Similarity NPD2970 Approved
0.655 Remote Similarity NPD5680 Clinical (unspecified phase)
0.655 Remote Similarity NPD2969 Approved
0.6546 Remote Similarity NPD2789 Approved
0.6545 Remote Similarity NPD4502 Phase 2
0.6544 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6532 Remote Similarity NPD5902 Approved
0.6532 Remote Similarity NPD5903 Approved
0.653 Remote Similarity NPD3592 Approved
0.653 Remote Similarity NPD3591 Approved
0.6528 Remote Similarity NPD6523 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6473 Phase 1
0.6524 Remote Similarity NPD1044 Clinical (unspecified phase)
0.6522 Remote Similarity NPD2917 Approved
0.652 Remote Similarity NPD6297 Approved
0.652 Remote Similarity NPD6496 Clinical (unspecified phase)
0.6517 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6517 Remote Similarity NPD6320 Approved
0.6515 Remote Similarity NPD6742 Phase 2
0.6515 Remote Similarity NPD6743 Phase 2
0.6513 Remote Similarity NPD5720 Discontinued
0.6511 Remote Similarity NPD5905 Phase 1
0.6509 Remote Similarity NPD3964 Approved
0.6509 Remote Similarity NPD6494 Phase 2
0.6508 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6507 Remote Similarity NPD2843 Phase 2
0.6507 Remote Similarity NPD2845 Phase 2
0.6505 Remote Similarity NPD5895 Clinical (unspecified phase)
0.6502 Remote Similarity NPD5612 Discontinued
0.6502 Remote Similarity NPD4873 Discontinued
0.6502 Remote Similarity NPD5562 Approved
0.6502 Remote Similarity NPD5561 Approved
0.65 Remote Similarity NPD4166 Phase 2
0.6495 Remote Similarity NPD4118 Clinical (unspecified phase)
0.6495 Remote Similarity NPD5617 Suspended
0.6495 Remote Similarity NPD5547 Clinical (unspecified phase)
0.6489 Remote Similarity NPD3763 Approved
0.6485 Remote Similarity NPD6316 Clinical (unspecified phase)
0.6484 Remote Similarity NPD5718 Phase 2
0.6481 Remote Similarity NPD6795 Clinical (unspecified phase)
0.648 Remote Similarity NPD2978 Approved
0.648 Remote Similarity NPD2977 Approved
0.648 Remote Similarity NPD6283 Phase 2
0.6479 Remote Similarity NPD7491 Clinical (unspecified phase)
0.6479 Remote Similarity NPD4605 Approved
0.6479 Remote Similarity NPD4604 Approved
0.6474 Remote Similarity NPD1305 Clinical (unspecified phase)
0.6462 Remote Similarity NPD3810 Clinical (unspecified phase)
0.6462 Remote Similarity NPD1440 Discontinued
0.6459 Remote Similarity NPD5188 Clinical (unspecified phase)
0.6459 Remote Similarity NPD7906 Approved
0.6459 Remote Similarity NPD4157 Discontinued
0.6455 Remote Similarity NPD7066 Clinical (unspecified phase)
0.6448 Remote Similarity NPD2674 Phase 3
0.6447 Remote Similarity NPD3560 Approved
0.6447 Remote Similarity NPD3556 Approved
0.6447 Remote Similarity NPD3557 Approved
0.6447 Remote Similarity NPD3558 Approved
0.6447 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6443 Remote Similarity NPD7261 Clinical (unspecified phase)
0.6443 Remote Similarity NPD4017 Approved
0.6436 Remote Similarity NPD5078 Clinical (unspecified phase)
0.6435 Remote Similarity NPD6592 Clinical (unspecified phase)
0.6425 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6425 Remote Similarity NPD4577 Approved
0.6425 Remote Similarity NPD4578 Approved
0.6422 Remote Similarity NPD4996 Approved
0.6422 Remote Similarity NPD4995 Approved
0.6419 Remote Similarity NPD3541 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   9997944
ChEMBL   CHEMBL488196
ZINC  

Physicochemical Properties

Molecular Weight:  349.14
ALogP:  -0.9311
MLogP:  3
XLogP:  3.976
# Rotatable Bonds:  7
Polar Surface Area:  77.81
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  26

Download Data

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