Natural Product: NPC162530

Natural Product ID:  NPC162530
Common Name:   Aaptamine
IUPAC Name:  
Synonyms:   Aaptamine
Molecular Formula:   C13H12N2O2
Standard InCHIKey:  IVXSXOFPZFVZTM-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3
Canonical SMILES:  COc1cc2ccnc3c2c(c1OC)[nH]cc3
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
NPO27743 Aaptos aaptos Species Suberitidae Eukaryota PMID[17716892]
NPO32740 hymeniacidon sp. Species Halichondriidae Eukaryota Singapore PMID[15043446]
NPO13586 Aaptos suberitoides Species Suberitidae Eukaryota PMID[20451377]
NPO13586 Aaptos suberitoides Species Suberitidae Eukaryota Indonesia PMID[23282083]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 120000 nM PubChem BioAssay data set
NPT165 Cell Line HeLa Homo sapiens IC50 = 15 ug/ml PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens ED50 = 3.2 ug/ml 20812738
NPT377 Cell Line OVCAR-3 Homo sapiens ED50 = 4.9 ug/ml 14695799
NPT575 Cell Line KM-20L2 Homo sapiens ED50 = 3.6 ug/ml 16562826
NPT2 Others Unspecified IC50 = 1.6 ug/ml 23713692
NPT2 Others Unspecified IC50 = 2.7 ug/ml 18829331
NPT2 Others Unspecified IC50 = 18 ug/ml 18829331
NPT2 Others Unspecified IC50 = 4.6 ug/ml 18829331
NPT2 Others Unspecified IC50 = 4.3 ug/ml 18829331
NPT3973 Individual Protein Endothelial PAS domain-containing protein 1 Homo sapiens EC50 > 100000 nM 17452481
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 200 ug/ml 19433362
NPT1821 Individual Protein Sortase Staphylococcus aureus IC50 = 23.5 ug/ml 17875991
NPT168 Cell Line P388 Mus musculus IC50 = 0.6 ug/ml 26213786
NPT116 Cell Line HL-60 Homo sapiens IC50 > 55000 nM DrugMatrix in vivo data: Biochemistry
NPT2 Others Unspecified IC50 = 3.9 ug/ml 15027875
NPT139 Cell Line HT-29 Homo sapiens IC50 = 6.9 ug/ml 17404003
NPT376 Cell Line A498 Homo sapiens ED50 = 3.2 ug/ml 20329733
NPT399 Cell Line SF-295 Homo sapiens ED50 = 4.1 ug/ml 20329733
NPT373 Cell Line SK-MEL-5 Homo sapiens ED50 = 4.3 ug/ml 20329733
NPT168 Cell Line P388 Mus musculus ED50 = 3.6 ug/ml 20329733
NPT6525 Individual Protein Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1 Homo sapiens IC50 = 120000 nM 24914738
NPT81 Cell Line A549 Homo sapiens IC50 = 2.8 ug/ml 11312930
NPT1864 Cell Line L5178Y Mus musculus GI = 100 % 19654408
NPT1864 Cell Line L5178Y Mus musculus IC50 = 8300 nM 19654408

  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 NPC162530 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
0.934 High Similarity NPC473513
0.9293 High Similarity NPC173080
0.8934 High Similarity NPC18348
0.8592 High Similarity NPC17565
0.8517 High Similarity NPC65277
0.841 Intermediate Similarity NPC133140
0.841 Intermediate Similarity NPC195268
0.83 Intermediate Similarity NPC234197
0.8265 Intermediate Similarity NPC41501
0.8227 Intermediate Similarity NPC16452
0.8227 Intermediate Similarity NPC36229
0.8227 Intermediate Similarity NPC476581
0.8209 Intermediate Similarity NPC315957
0.8174 Intermediate Similarity NPC472061
0.8159 Intermediate Similarity NPC476582
0.8159 Intermediate Similarity NPC476578
0.8159 Intermediate Similarity NPC4071
0.8125 Intermediate Similarity NPC316981
0.8119 Intermediate Similarity NPC477019
0.8079 Intermediate Similarity NPC31930
0.8049 Intermediate Similarity NPC285558
0.8009 Intermediate Similarity NPC270515
0.798 Intermediate Similarity NPC287437
0.7973 Intermediate Similarity NPC30540
0.7962 Intermediate Similarity NPC235076
0.7952 Intermediate Similarity NPC296482
0.7952 Intermediate Similarity NPC112206
0.7952 Intermediate Similarity NPC53069
0.7952 Intermediate Similarity NPC202605
0.7952 Intermediate Similarity NPC202768
0.7943 Intermediate Similarity NPC188420
0.7913 Intermediate Similarity NPC245816
0.7913 Intermediate Similarity NPC476138
0.7902 Intermediate Similarity NPC232727
0.7895 Intermediate Similarity NPC185782
0.7885 Intermediate Similarity NPC313189
0.7867 Intermediate Similarity NPC171409
0.7867 Intermediate Similarity NPC251160
0.7867 Intermediate Similarity NPC96405
0.7857 Intermediate Similarity NPC290689
0.785 Intermediate Similarity NPC23614
0.785 Intermediate Similarity NPC100079
0.7837 Intermediate Similarity NPC323345
0.7837 Intermediate Similarity NPC470164
0.783 Intermediate Similarity NPC132385
0.783 Intermediate Similarity NPC266931
0.783 Intermediate Similarity NPC271215
0.783 Intermediate Similarity NPC149471
0.7828 Intermediate Similarity NPC49547
0.7814 Intermediate Similarity NPC46451
0.78 Intermediate Similarity NPC296527
0.7799 Intermediate Similarity NPC135549
0.7783 Intermediate Similarity NPC26679
0.7778 Intermediate Similarity NPC84478
0.7778 Intermediate Similarity NPC284559
0.7767 Intermediate Similarity NPC121772
0.7763 Intermediate Similarity NPC470018
0.7761 Intermediate Similarity NPC76748
0.7745 Intermediate Similarity NPC13880
0.7739 Intermediate Similarity NPC472067
0.7739 Intermediate Similarity NPC472066
0.7739 Intermediate Similarity NPC472031
0.7736 Intermediate Similarity NPC208284
0.7734 Intermediate Similarity NPC307963
0.7729 Intermediate Similarity NPC472068
0.7727 Intermediate Similarity NPC74575
0.7725 Intermediate Similarity NPC174758
0.7723 Intermediate Similarity NPC92111
0.7706 Intermediate Similarity NPC118121
0.7692 Intermediate Similarity NPC312872
0.7689 Intermediate Similarity NPC123976
0.7689 Intermediate Similarity NPC167860
0.7685 Intermediate Similarity NPC204446
0.7685 Intermediate Similarity NPC473822
0.7681 Intermediate Similarity NPC19872
0.7681 Intermediate Similarity NPC176538
0.7674 Intermediate Similarity NPC8022
0.7674 Intermediate Similarity NPC470799
0.7664 Intermediate Similarity NPC236668
0.7659 Intermediate Similarity NPC251090
0.7628 Intermediate Similarity NPC146976
0.7621 Intermediate Similarity NPC267928
0.7608 Intermediate Similarity NPC199277
0.7608 Intermediate Similarity NPC66815
0.7608 Intermediate Similarity NPC135887
0.7604 Intermediate Similarity NPC118511
0.7602 Intermediate Similarity NPC200888
0.7581 Intermediate Similarity NPC476287
0.7573 Intermediate Similarity NPC194967
0.7571 Intermediate Similarity NPC475774
0.7569 Intermediate Similarity NPC193267
0.7569 Intermediate Similarity NPC213530
0.7566 Intermediate Similarity NPC295228
0.7559 Intermediate Similarity NPC174672
0.7556 Intermediate Similarity NPC473182
0.755 Intermediate Similarity NPC176127
0.7545 Intermediate Similarity NPC122463
0.7545 Intermediate Similarity NPC210434
0.7536 Intermediate Similarity NPC224928
0.7534 Intermediate Similarity NPC174049
0.7533 Intermediate Similarity NPC473183
0.7525 Intermediate Similarity NPC204385
0.7524 Intermediate Similarity NPC326634
0.7512 Intermediate Similarity NPC82548
0.7512 Intermediate Similarity NPC329747
0.7512 Intermediate Similarity NPC287208
0.7512 Intermediate Similarity NPC274982
0.7512 Intermediate Similarity NPC170114
0.7511 Intermediate Similarity NPC469554
0.7489 Intermediate Similarity NPC208522
0.7488 Intermediate Similarity NPC46580
0.7475 Intermediate Similarity NPC42591
0.7466 Intermediate Similarity NPC280272
0.7465 Intermediate Similarity NPC470549
0.7445 Intermediate Similarity NPC473184
0.7442 Intermediate Similarity NPC11464
0.7442 Intermediate Similarity NPC470020
0.7434 Intermediate Similarity NPC101543
0.7431 Intermediate Similarity NPC477110
0.7421 Intermediate Similarity NPC60621
0.7419 Intermediate Similarity NPC469592
0.7419 Intermediate Similarity NPC471080
0.7413 Intermediate Similarity NPC206201
0.7395 Intermediate Similarity NPC469589
0.7389 Intermediate Similarity NPC20249
0.7389 Intermediate Similarity NPC201508
0.7371 Intermediate Similarity NPC47059
0.7371 Intermediate Similarity NPC470930
0.7371 Intermediate Similarity NPC329708
0.7371 Intermediate Similarity NPC165349
0.7371 Intermediate Similarity NPC177404
0.7371 Intermediate Similarity NPC274291
0.7371 Intermediate Similarity NPC264166
0.7371 Intermediate Similarity NPC118832
0.7361 Intermediate Similarity NPC199667
0.7361 Intermediate Similarity NPC219664
0.7356 Intermediate Similarity NPC131017
0.7354 Intermediate Similarity NPC322482
0.7349 Intermediate Similarity NPC477111
0.7349 Intermediate Similarity NPC475910
0.7345 Intermediate Similarity NPC24019
0.7336 Intermediate Similarity NPC477113
0.7336 Intermediate Similarity NPC470017
0.7336 Intermediate Similarity NPC304183
0.7333 Intermediate Similarity NPC473185
0.7331 Intermediate Similarity NPC56271
0.733 Intermediate Similarity NPC292958
0.7325 Intermediate Similarity NPC172222
0.7315 Intermediate Similarity NPC473181
0.7315 Intermediate Similarity NPC201697
0.7313 Intermediate Similarity NPC475253
0.7313 Intermediate Similarity NPC260434
0.7308 Intermediate Similarity NPC329541
0.7304 Intermediate Similarity NPC470022
0.7302 Intermediate Similarity NPC193777
0.7301 Intermediate Similarity NPC314954
0.7296 Intermediate Similarity NPC142385
0.7294 Intermediate Similarity NPC203168
0.7294 Intermediate Similarity NPC94157
0.7289 Intermediate Similarity NPC214980
0.7285 Intermediate Similarity NPC469594
0.7284 Intermediate Similarity NPC217554
0.7282 Intermediate Similarity NPC242928
0.7277 Intermediate Similarity NPC122436
0.7277 Intermediate Similarity NPC295898
0.7273 Intermediate Similarity NPC473764
0.7273 Intermediate Similarity NPC314940
0.7269 Intermediate Similarity NPC278525
0.7269 Intermediate Similarity NPC469792
0.7265 Intermediate Similarity NPC310118
0.7264 Intermediate Similarity NPC329793
0.7249 Intermediate Similarity NPC22481
0.7249 Intermediate Similarity NPC255800
0.7249 Intermediate Similarity NPC96584
0.7243 Intermediate Similarity NPC162484
0.7241 Intermediate Similarity NPC474798
0.724 Intermediate Similarity NPC26872
0.7232 Intermediate Similarity NPC216612
0.723 Intermediate Similarity NPC470586
0.7228 Intermediate Similarity NPC472168
0.722 Intermediate Similarity NPC314002
0.7217 Intermediate Similarity NPC476167
0.7217 Intermediate Similarity NPC24802
0.7217 Intermediate Similarity NPC253675
0.7216 Intermediate Similarity NPC26850
0.7215 Intermediate Similarity NPC26543
0.7215 Intermediate Similarity NPC48353
0.7205 Intermediate Similarity NPC233334
0.7198 Intermediate Similarity NPC11408
0.7196 Intermediate Similarity NPC470678
0.7191 Intermediate Similarity NPC284141
0.7189 Intermediate Similarity NPC476465
0.7186 Intermediate Similarity NPC108342
0.7181 Intermediate Similarity NPC110151
0.7178 Intermediate Similarity NPC96890
0.7177 Intermediate Similarity NPC99666
0.7175 Intermediate Similarity NPC473179
0.7175 Intermediate Similarity NPC148409
0.7174 Intermediate Similarity NPC180504
0.7171 Intermediate Similarity NPC62069

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC162530 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
0.841 Intermediate Similarity NPD3922 Approved
0.841 Intermediate Similarity NPD3923 Approved
0.841 Intermediate Similarity NPD3924 Approved
0.841 Intermediate Similarity NPD3921 Approved
0.8209 Intermediate Similarity NPD1740 Approved
0.8209 Intermediate Similarity NPD1739 Approved
0.8137 Intermediate Similarity NPD4795 Phase 2
0.8037 Intermediate Similarity NPD6494 Phase 2
0.8036 Intermediate Similarity NPD6230 Discontinued
0.8019 Intermediate Similarity NPD5658 Approved
0.7952 Intermediate Similarity NPD3816 Phase 1
0.7952 Intermediate Similarity NPD3815 Phase 1
0.7938 Intermediate Similarity NPD3920 Phase 2
0.791 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.786 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7847 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.782 Intermediate Similarity NPD4502 Phase 2
0.7814 Intermediate Similarity NPD3763 Approved
0.7812 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD5999 Phase 2
0.7788 Intermediate Similarity NPD1954 Phase 1
0.7758 Intermediate Similarity NPD6964 Approved
0.7758 Intermediate Similarity NPD6963 Approved
0.7736 Intermediate Similarity NPD4131 Phase 3
0.7734 Intermediate Similarity NPD1038 Approved
0.7714 Intermediate Similarity NPD1392 Approved
0.7703 Intermediate Similarity NPD4996 Approved
0.7703 Intermediate Similarity NPD4995 Approved
0.7696 Intermediate Similarity NPD5930 Phase 3
0.7692 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD4925 Approved
0.7626 Intermediate Similarity NPD1856 Discontinued
0.7604 Intermediate Similarity NPD4429 Discontinued
0.7578 Intermediate Similarity NPD1900 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD4548 Discontinued
0.7546 Intermediate Similarity NPD5903 Approved
0.7546 Intermediate Similarity NPD5902 Approved
0.7544 Intermediate Similarity NPD5905 Phase 1
0.7522 Intermediate Similarity NPD7413 Phase 3
0.7512 Intermediate Similarity NPD6569 Phase 2
0.75 Intermediate Similarity NPD112 Approved
0.75 Intermediate Similarity NPD9705 Discontinued
0.7478 Intermediate Similarity NPD7558 Phase 2
0.7464 Intermediate Similarity NPD2175 Phase 3
0.7464 Intermediate Similarity NPD2177 Approved
0.7464 Intermediate Similarity NPD2176 Approved
0.7447 Intermediate Similarity NPD7859 Phase 2
0.744 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD5612 Discontinued
0.7422 Intermediate Similarity NPD5022 Discontinued
0.7413 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD4876 Phase 3
0.7403 Intermediate Similarity NPD4875 Phase 3
0.7395 Intermediate Similarity NPD8091 Phase 3
0.7385 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD1768 Approved
0.7371 Intermediate Similarity NPD4036 Approved
0.7371 Intermediate Similarity NPD4037 Approved
0.7371 Intermediate Similarity NPD4039 Approved
0.7371 Intermediate Similarity NPD4033 Approved
0.7371 Intermediate Similarity NPD31 Approved
0.7371 Intermediate Similarity NPD4034 Approved
0.7371 Intermediate Similarity NPD32 Approved
0.7371 Intermediate Similarity NPD4122 Approved
0.7371 Intermediate Similarity NPD4035 Approved
0.7371 Intermediate Similarity NPD4038 Approved
0.7349 Intermediate Similarity NPD5528 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD5529 Phase 1
0.7336 Intermediate Similarity NPD3003 Approved
0.7331 Intermediate Similarity NPD5008 Approved
0.7328 Intermediate Similarity NPD5051 Phase 1
0.7327 Intermediate Similarity NPD3386 Phase 2
0.7323 Intermediate Similarity NPD4083 Discontinued
0.7321 Intermediate Similarity NPD3477 Phase 2
0.7321 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD4437 Phase 3
0.731 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD4551 Phase 2
0.7302 Intermediate Similarity NPD6290 Phase 2
0.7302 Intermediate Similarity NPD7222 Phase 2
0.7299 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD7068 Approved
0.7296 Intermediate Similarity NPD7067 Approved
0.7288 Intermediate Similarity NPD6244 Phase 3
0.7288 Intermediate Similarity NPD6243 Phase 3
0.7273 Intermediate Similarity NPD1602 Discontinued
0.7273 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD5256 Discontinued
0.7264 Intermediate Similarity NPD4071 Approved
0.7264 Intermediate Similarity NPD4072 Approved
0.7256 Intermediate Similarity NPD5530 Phase 1
0.7248 Intermediate Similarity NPD3570 Phase 2
0.7236 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD2285 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD6046 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7620 Phase 2
0.722 Intermediate Similarity NPD4889 Approved
0.722 Intermediate Similarity NPD6242 Discontinued
0.7217 Intermediate Similarity NPD3825 Phase 3
0.7217 Intermediate Similarity NPD5547 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD7674 Phase 3
0.7212 Intermediate Similarity NPD7675 Phase 3
0.7212 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD6961 Discontinued
0.7204 Intermediate Similarity NPD2952 Discontinued
0.7197 Intermediate Similarity NPD5539 Phase 2
0.7189 Intermediate Similarity NPD2189 Approved
0.7189 Intermediate Similarity NPD2187 Approved
0.7183 Intermediate Similarity NPD6219 Discontinued
0.7177 Intermediate Similarity NPD4372 Phase 1
0.7173 Intermediate Similarity NPD5007 Approved
0.7169 Intermediate Similarity NPD5936 Approved
0.7169 Intermediate Similarity NPD5066 Phase 2
0.7169 Intermediate Similarity NPD5067 Phase 2
0.7169 Intermediate Similarity NPD5939 Approved
0.7168 Intermediate Similarity NPD4890 Phase 2
0.7164 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD1034 Phase 3
0.715 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD5559 Phase 2
0.7143 Intermediate Similarity NPD7452 Approved
0.7143 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7453 Approved
0.7143 Intermediate Similarity NPD9695 Approved
0.7143 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD802 Phase 2
0.7136 Intermediate Similarity NPD7069 Discontinued
0.7129 Intermediate Similarity NPD2334 Discontinued
0.7126 Intermediate Similarity NPD3254 Phase 1
0.7126 Intermediate Similarity NPD3255 Phase 1
0.7116 Intermediate Similarity NPD5669 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD4021 Phase 2
0.7111 Intermediate Similarity NPD5147 Discontinued
0.711 Intermediate Similarity NPD2739 Clinical (unspecified phase)
0.7106 Intermediate Similarity NPD5873 Phase 3
0.7106 Intermediate Similarity NPD5833 Phase 1
0.7106 Intermediate Similarity NPD5874 Phase 3
0.7104 Intermediate Similarity NPD5945 Phase 1
0.7104 Intermediate Similarity NPD5944 Phase 1
0.7101 Intermediate Similarity NPD4921 Phase 3
0.7101 Intermediate Similarity NPD3886 Phase 1
0.7101 Intermediate Similarity NPD4919 Phase 3
0.7101 Intermediate Similarity NPD4920 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD3514 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD7586 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD9690 Approved
0.7064 Intermediate Similarity NPD3930 Clinical (unspecified phase)
0.7061 Intermediate Similarity NPD7050 Clinical (unspecified phase)
0.7061 Intermediate Similarity NPD7426 Phase 1
0.7061 Intermediate Similarity NPD7051 Phase 3
0.7054 Intermediate Similarity NPD8109 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD5645 Phase 3
0.7043 Intermediate Similarity NPD8512 Phase 3
0.7042 Intermediate Similarity NPD5878 Approved
0.7042 Intermediate Similarity NPD1622 Discontinued
0.7042 Intermediate Similarity NPD5875 Approved
0.7035 Intermediate Similarity NPD6298 Discontinued
0.7031 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.7028 Intermediate Similarity NPD4418 Discontinued
0.7028 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD5601 Phase 2
0.7018 Intermediate Similarity NPD3932 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD2060 Approved
0.7015 Intermediate Similarity NPD565 Phase 2
0.701 Intermediate Similarity NPD1032 Phase 2
0.7005 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7004 Intermediate Similarity NPD6216 Approved
0.7 Intermediate Similarity NPD1297 Clinical (unspecified phase)
0.699 Remote Similarity NPD4203 Approved
0.699 Remote Similarity NPD4204 Approved
0.6987 Remote Similarity NPD5876 Phase 3
0.6987 Remote Similarity NPD5877 Phase 3
0.6983 Remote Similarity NPD4885 Approved
0.6979 Remote Similarity NPD6750 Phase 2
0.6978 Remote Similarity NPD6568 Discontinued
0.6978 Remote Similarity NPD5632 Approved
0.6971 Remote Similarity NPD6503 Clinical (unspecified phase)
0.6966 Remote Similarity NPD3006 Discontinued
0.6964 Remote Similarity NPD6147 Clinical (unspecified phase)
0.6963 Remote Similarity NPD7948 Phase 1
0.6959 Remote Similarity NPD6477 Clinical (unspecified phase)
0.6954 Remote Similarity NPD2582 Approved
0.6954 Remote Similarity NPD2581 Approved
0.695 Remote Similarity NPD2780 Approved
0.695 Remote Similarity NPD2782 Approved
0.6949 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6948 Remote Similarity NPD3810 Clinical (unspecified phase)
0.6948 Remote Similarity NPD3395 Approved
0.6948 Remote Similarity NPD3396 Approved
0.6947 Remote Similarity NPD7194 Discontinued
0.6944 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6937 Remote Similarity NPD1300 Discontinued
0.6926 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6926 Remote Similarity NPD8244 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL234658
ZINC  

Physicochemical Properties

Molecular Weight:  228.09
ALogP:  -0.5772
MLogP:  2.45
XLogP:  1.653
# Rotatable Bonds:  4
Polar Surface Area:  43.38
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

Download Data

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