Natural Product: NPC173080

Natural Product ID:  NPC173080
Common Name:   Isoaaptamine
IUPAC Name:  
Synonyms:   Isoaaptamine
Molecular Formula:   C13H12N2O2
Standard InCHIKey:  MPBUGSHDXOJPKR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H12N2O2/c1-15-6-4-9-11-8(3-5-14-9)7-10(17-2)13(16)12(11)15/h3-7,16H,1-2H3
Canonical SMILES:  COc1cc2ccnc3c2c(c1O)n(C)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]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 10 ug/ml PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 1.7 ug/ml PubChem BioAssay data set
NPT165 Cell Line HeLa Homo sapiens IC50 = 3.1 ug/ml PubChem BioAssay data set
NPT1821 Individual Protein Sortase Staphylococcus aureus IC50 = 3.7 ug/ml 22093759
NPT168 Cell Line P388 Mus musculus ED50 = 0.28 ug/ml 20028081
NPT377 Cell Line OVCAR-3 Homo sapiens ED50 = 1.2 ug/ml 20028081
NPT1821 Individual Protein Sortase Staphylococcus aureus IC50 = 3.7 ug/ml 19433362
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug/ml 26026364
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Activity = 99 % 17346076
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 32 ug/ml 21504848
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 16 ug/ml PubChem BioAssay data set
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans MIC = 64 ug/ml PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 2.1 ug/ml 19114678
NPT2 Others Unspecified IC50 = 2.4 ug/ml 19114678
NPT168 Cell Line P388 Mus musculus ED50 = 0.28 ug/ml 9514009
NPT2 Others Unspecified IC50 = 2.00E-06 nM 9514009
NPT116 Cell Line HL-60 Homo sapiens IC50 > 55000 nM DrugMatrix in vivo data: Biochemistry
NPT139 Cell Line HT-29 Homo sapiens IC50 = 0.4 ug/ml 8182707
NPT81 Cell Line A549 Homo sapiens IC50 = 0.3 ug/ml 8182707
NPT2 Others Unspecified IC50 = 0.4 ug/ml 8182707
NPT168 Cell Line P388 Mus musculus IC50 = 0.04 ug/ml 12086492
NPT1522 Organism Neisseria gonorrhoeae Neisseria gonorrhoeae MIC < 0.5 ug/ml 25442304
NPT376 Cell Line A498 Homo sapiens ED50 = 2.2 ug/ml DrugMatrix in vitro pharmacology data
NPT399 Cell Line SF-295 Homo sapiens ED50 = 2.6 ug/ml DrugMatrix in vitro pharmacology data
NPT373 Cell Line SK-MEL-5 Homo sapiens ED50 = 1.6 ug/ml DrugMatrix in vitro pharmacology data
NPT575 Cell Line KM-20L2 Homo sapiens ED50 = 2.3 ug/ml DrugMatrix in vitro pharmacology data
NPT397 Cell Line NCI-H460 Homo sapiens ED50 = 2.4 ug/ml DrugMatrix in vitro pharmacology data
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC = 32 ug/ml 17723297
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC = 8 ug/ml 1791472

  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 NPC173080 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
0.9293 High Similarity NPC162530
0.925 High Similarity NPC473513
0.9137 High Similarity NPC18348
0.8495 Intermediate Similarity NPC202605
0.8495 Intermediate Similarity NPC112206
0.8447 Intermediate Similarity NPC41501
0.8429 Intermediate Similarity NPC17565
0.8357 Intermediate Similarity NPC65277
0.8241 Intermediate Similarity NPC195268
0.8241 Intermediate Similarity NPC133140
0.823 Intermediate Similarity NPC316981
0.8155 Intermediate Similarity NPC16452
0.8155 Intermediate Similarity NPC476581
0.8155 Intermediate Similarity NPC36229
0.814 Intermediate Similarity NPC118121
0.8137 Intermediate Similarity NPC234197
0.8122 Intermediate Similarity NPC204446
0.8122 Intermediate Similarity NPC473822
0.8088 Intermediate Similarity NPC476578
0.8088 Intermediate Similarity NPC476582
0.8088 Intermediate Similarity NPC4071
0.807 Intermediate Similarity NPC472031
0.807 Intermediate Similarity NPC472067
0.807 Intermediate Similarity NPC472066
0.8062 Intermediate Similarity NPC472068
0.8049 Intermediate Similarity NPC477019
0.801 Intermediate Similarity NPC31930
0.7972 Intermediate Similarity NPC122463
0.7934 Intermediate Similarity NPC266931
0.7892 Intermediate Similarity NPC172222
0.7887 Intermediate Similarity NPC296482
0.7887 Intermediate Similarity NPC202768
0.7887 Intermediate Similarity NPC53069
0.7883 Intermediate Similarity NPC201508
0.7832 Intermediate Similarity NPC30540
0.7826 Intermediate Similarity NPC287437
0.782 Intermediate Similarity NPC313189
0.7816 Intermediate Similarity NPC224928
0.7814 Intermediate Similarity NPC235076
0.7804 Intermediate Similarity NPC96405
0.7804 Intermediate Similarity NPC171409
0.7799 Intermediate Similarity NPC66815
0.7799 Intermediate Similarity NPC199277
0.7799 Intermediate Similarity NPC135887
0.7798 Intermediate Similarity NPC174049
0.7793 Intermediate Similarity NPC188420
0.7793 Intermediate Similarity NPC290689
0.7788 Intermediate Similarity NPC100079
0.7788 Intermediate Similarity NPC23614
0.7788 Intermediate Similarity NPC472061
0.7783 Intermediate Similarity NPC200888
0.7783 Intermediate Similarity NPC214980
0.7767 Intermediate Similarity NPC149471
0.7767 Intermediate Similarity NPC271215
0.7758 Intermediate Similarity NPC469792
0.7752 Intermediate Similarity NPC46451
0.7746 Intermediate Similarity NPC469589
0.7736 Intermediate Similarity NPC135549
0.7733 Intermediate Similarity NPC255800
0.7733 Intermediate Similarity NPC96584
0.7721 Intermediate Similarity NPC251160
0.7709 Intermediate Similarity NPC473183
0.7703 Intermediate Similarity NPC315957
0.7699 Intermediate Similarity NPC132385
0.7696 Intermediate Similarity NPC470799
0.7696 Intermediate Similarity NPC8022
0.7689 Intermediate Similarity NPC470164
0.7689 Intermediate Similarity NPC304183
0.7689 Intermediate Similarity NPC323345
0.7678 Intermediate Similarity NPC475774
0.7673 Intermediate Similarity NPC42591
0.7671 Intermediate Similarity NPC148409
0.7665 Intermediate Similarity NPC295228
0.7664 Intermediate Similarity NPC174758
0.7655 Intermediate Similarity NPC473182
0.7653 Intermediate Similarity NPC314940
0.7653 Intermediate Similarity NPC473764
0.7642 Intermediate Similarity NPC285558
0.7642 Intermediate Similarity NPC329708
0.7642 Intermediate Similarity NPC264166
0.7642 Intermediate Similarity NPC274291
0.7642 Intermediate Similarity NPC47059
0.7642 Intermediate Similarity NPC165349
0.7642 Intermediate Similarity NPC118832
0.7639 Intermediate Similarity NPC270515
0.7633 Intermediate Similarity NPC326634
0.763 Intermediate Similarity NPC470678
0.7621 Intermediate Similarity NPC473184
0.7591 Intermediate Similarity NPC193267
0.7591 Intermediate Similarity NPC213530
0.7585 Intermediate Similarity NPC329541
0.7556 Intermediate Similarity NPC246381
0.7538 Intermediate Similarity NPC312872
0.7537 Intermediate Similarity NPC284559
0.7525 Intermediate Similarity NPC252590
0.7523 Intermediate Similarity NPC236668
0.7523 Intermediate Similarity NPC469592
0.7523 Intermediate Similarity NPC471080
0.75 Intermediate Similarity NPC232727
0.75 Intermediate Similarity NPC174672
0.7489 Intermediate Similarity NPC146976
0.7489 Intermediate Similarity NPC280272
0.7488 Intermediate Similarity NPC474595
0.7477 Intermediate Similarity NPC203168
0.7465 Intermediate Similarity NPC219664
0.7455 Intermediate Similarity NPC477110
0.7455 Intermediate Similarity NPC274982
0.7454 Intermediate Similarity NPC82548
0.7454 Intermediate Similarity NPC477111
0.7451 Intermediate Similarity NPC62069
0.743 Intermediate Similarity NPC53144
0.743 Intermediate Similarity NPC476138
0.743 Intermediate Similarity NPC245816
0.7429 Intermediate Similarity NPC194967
0.7429 Intermediate Similarity NPC251090
0.7427 Intermediate Similarity NPC46580
0.7427 Intermediate Similarity NPC66083
0.7419 Intermediate Similarity NPC185782
0.7416 Intermediate Similarity NPC307963
0.7411 Intermediate Similarity NPC210434
0.7393 Intermediate Similarity NPC267928
0.7393 Intermediate Similarity NPC15406
0.7389 Intermediate Similarity NPC470018
0.7387 Intermediate Similarity NPC469594
0.7385 Intermediate Similarity NPC11464
0.7382 Intermediate Similarity NPC217554
0.7379 Intermediate Similarity NPC61350
0.7379 Intermediate Similarity NPC204385
0.7373 Intermediate Similarity NPC287208
0.7366 Intermediate Similarity NPC84478
0.7364 Intermediate Similarity NPC474594
0.7362 Intermediate Similarity NPC208522
0.7361 Intermediate Similarity NPC477113
0.736 Intermediate Similarity NPC118511
0.7357 Intermediate Similarity NPC473185
0.7357 Intermediate Similarity NPC74575
0.7352 Intermediate Similarity NPC208284
0.7327 Intermediate Similarity NPC193777
0.7325 Intermediate Similarity NPC476997
0.7324 Intermediate Similarity NPC476167
0.7321 Intermediate Similarity NPC92111
0.7318 Intermediate Similarity NPC26679
0.731 Intermediate Similarity NPC177404
0.7308 Intermediate Similarity NPC296527
0.7306 Intermediate Similarity NPC470020
0.7306 Intermediate Similarity NPC167860
0.7306 Intermediate Similarity NPC123976
0.7304 Intermediate Similarity NPC49547
0.7296 Intermediate Similarity NPC11408
0.7295 Intermediate Similarity NPC314573
0.7294 Intermediate Similarity NPC475910
0.7293 Intermediate Similarity NPC476996
0.7293 Intermediate Similarity NPC476998
0.729 Intermediate Similarity NPC121772
0.729 Intermediate Similarity NPC176538
0.7289 Intermediate Similarity NPC60621
0.7288 Intermediate Similarity NPC284141
0.7286 Intermediate Similarity NPC141915
0.7286 Intermediate Similarity NPC114335
0.7286 Intermediate Similarity NPC280964
0.7277 Intermediate Similarity NPC192315
0.7273 Intermediate Similarity NPC76748
0.7269 Intermediate Similarity NPC200836
0.7268 Intermediate Similarity NPC206201
0.7264 Intermediate Similarity NPC13880
0.7251 Intermediate Similarity NPC226202
0.7249 Intermediate Similarity NPC476994
0.7246 Intermediate Similarity NPC20249
0.7241 Intermediate Similarity NPC288943
0.724 Intermediate Similarity NPC48353
0.7238 Intermediate Similarity NPC469390
0.7238 Intermediate Similarity NPC134637
0.7234 Intermediate Similarity NPC210296
0.723 Intermediate Similarity NPC474188
0.7227 Intermediate Similarity NPC85273
0.7225 Intermediate Similarity NPC322482
0.7222 Intermediate Similarity NPC211813
0.7222 Intermediate Similarity NPC295898
0.7217 Intermediate Similarity NPC24019
0.7212 Intermediate Similarity NPC276674
0.7212 Intermediate Similarity NPC33902
0.7209 Intermediate Similarity NPC329747
0.7209 Intermediate Similarity NPC19872
0.7202 Intermediate Similarity NPC472111
0.7186 Intermediate Similarity NPC97367
0.7184 Intermediate Similarity NPC266551
0.7184 Intermediate Similarity NPC219963
0.7184 Intermediate Similarity NPC161887
0.7182 Intermediate Similarity NPC209769
0.7171 Intermediate Similarity NPC72980
0.7169 Intermediate Similarity NPC193238
0.7167 Intermediate Similarity NPC253675
0.7163 Intermediate Similarity NPC314002
0.7161 Intermediate Similarity NPC99891
0.7156 Intermediate Similarity NPC210256
0.715 Intermediate Similarity NPC176127
0.715 Intermediate Similarity NPC471178
0.7143 Intermediate Similarity NPC477186
0.7143 Intermediate Similarity NPC278525
0.7137 Intermediate Similarity NPC470017

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC173080 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
0.8241 Intermediate Similarity NPD3924 Approved
0.8241 Intermediate Similarity NPD3922 Approved
0.8241 Intermediate Similarity NPD3921 Approved
0.8241 Intermediate Similarity NPD3923 Approved
0.7973 Intermediate Similarity NPD6494 Phase 2
0.7887 Intermediate Similarity NPD3815 Phase 1
0.7887 Intermediate Similarity NPD3816 Phase 1
0.784 Intermediate Similarity NPD4502 Phase 2
0.7808 Intermediate Similarity NPD1954 Phase 1
0.7778 Intermediate Similarity NPD3920 Phase 2
0.7752 Intermediate Similarity NPD3763 Approved
0.7739 Intermediate Similarity NPD6230 Discontinued
0.7727 Intermediate Similarity NPD1856 Discontinued
0.7725 Intermediate Similarity NPD4795 Phase 2
0.7703 Intermediate Similarity NPD1740 Approved
0.7703 Intermediate Similarity NPD1739 Approved
0.77 Intermediate Similarity NPD5658 Approved
0.77 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.7642 Intermediate Similarity NPD31 Approved
0.7642 Intermediate Similarity NPD4034 Approved
0.7642 Intermediate Similarity NPD32 Approved
0.7642 Intermediate Similarity NPD4039 Approved
0.7642 Intermediate Similarity NPD4036 Approved
0.7642 Intermediate Similarity NPD4035 Approved
0.7642 Intermediate Similarity NPD4122 Approved
0.7642 Intermediate Similarity NPD4037 Approved
0.7642 Intermediate Similarity NPD4038 Approved
0.7642 Intermediate Similarity NPD4033 Approved
0.7636 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7621 Intermediate Similarity NPD6569 Phase 2
0.7612 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7585 Intermediate Similarity NPD4551 Phase 2
0.757 Intermediate Similarity NPD7222 Phase 2
0.7538 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.7523 Intermediate Similarity NPD5530 Phase 1
0.7522 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD4131 Phase 3
0.75 Intermediate Similarity NPD9695 Approved
0.7488 Intermediate Similarity NPD1392 Approved
0.7488 Intermediate Similarity NPD2177 Approved
0.7488 Intermediate Similarity NPD2175 Phase 3
0.7488 Intermediate Similarity NPD5999 Phase 2
0.7488 Intermediate Similarity NPD2176 Approved
0.7455 Intermediate Similarity NPD5612 Discontinued
0.745 Intermediate Similarity NPD9690 Approved
0.7427 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD7558 Phase 2
0.7417 Intermediate Similarity NPD8091 Phase 3
0.7416 Intermediate Similarity NPD1038 Approved
0.7416 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD5905 Phase 1
0.7407 Intermediate Similarity NPD7452 Approved
0.7407 Intermediate Similarity NPD7453 Approved
0.7391 Intermediate Similarity NPD6964 Approved
0.7391 Intermediate Similarity NPD6963 Approved
0.7389 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD7675 Phase 3
0.7389 Intermediate Similarity NPD7674 Phase 3
0.7347 Intermediate Similarity NPD112 Approved
0.7347 Intermediate Similarity NPD9705 Discontinued
0.7336 Intermediate Similarity NPD4995 Approved
0.7336 Intermediate Similarity NPD4996 Approved
0.7327 Intermediate Similarity NPD6290 Phase 2
0.7322 Intermediate Similarity NPD7859 Phase 2
0.7319 Intermediate Similarity NPD7413 Phase 3
0.7299 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD4925 Approved
0.7285 Intermediate Similarity NPD5944 Phase 1
0.7285 Intermediate Similarity NPD5945 Phase 1
0.7277 Intermediate Similarity NPD4875 Phase 3
0.7277 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD4876 Phase 3
0.7268 Intermediate Similarity NPD4203 Approved
0.7268 Intermediate Similarity NPD4204 Approved
0.7265 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD4437 Phase 3
0.7252 Intermediate Similarity NPD5902 Approved
0.7252 Intermediate Similarity NPD5903 Approved
0.7244 Intermediate Similarity NPD5930 Phase 3
0.724 Intermediate Similarity NPD7069 Discontinued
0.7237 Intermediate Similarity NPD7426 Phase 1
0.723 Intermediate Similarity NPD1622 Discontinued
0.722 Intermediate Similarity NPD4926 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD1900 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD5022 Discontinued
0.7202 Intermediate Similarity NPD7169 Suspended
0.7195 Intermediate Similarity NPD5939 Approved
0.7195 Intermediate Similarity NPD5936 Approved
0.7195 Intermediate Similarity NPD3570 Phase 2
0.7193 Intermediate Similarity NPD7586 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD3386 Phase 2
0.7183 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD3477 Phase 2
0.7178 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD4083 Discontinued
0.7175 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7173 Intermediate Similarity NPD7067 Approved
0.7173 Intermediate Similarity NPD7068 Approved
0.7171 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD1768 Approved
0.7156 Intermediate Similarity NPD4429 Discontinued
0.7156 Intermediate Similarity NPD8109 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD2952 Discontinued
0.7137 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD5147 Discontinued
0.7136 Intermediate Similarity NPD2739 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD9706 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD3003 Approved
0.7123 Intermediate Similarity NPD3932 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD5751 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD2285 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4548 Discontinued
0.7083 Intermediate Similarity NPD5547 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD4889 Approved
0.7081 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD5539 Phase 2
0.707 Intermediate Similarity NPD1229 Phase 2
0.7064 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.7061 Intermediate Similarity NPD6298 Discontinued
0.7059 Intermediate Similarity NPD5051 Phase 1
0.7059 Intermediate Similarity NPD5529 Phase 1
0.7059 Intermediate Similarity NPD5528 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD3396 Approved
0.7056 Intermediate Similarity NPD3395 Approved
0.7051 Intermediate Similarity NPD6219 Discontinued
0.7048 Intermediate Similarity NPD4375 Approved
0.7042 Intermediate Similarity NPD4372 Phase 1
0.7037 Intermediate Similarity NPD7889 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD6244 Phase 3
0.7025 Intermediate Similarity NPD6243 Phase 3
0.7021 Intermediate Similarity NPD2757 Phase 2
0.702 Intermediate Similarity NPD8244 Phase 2
0.7014 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD3930 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD1034 Phase 3
0.7009 Intermediate Similarity NPD6361 Phase 2
0.7005 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.6996 Remote Similarity NPD5008 Approved
0.6995 Remote Similarity NPD2334 Discontinued
0.6991 Remote Similarity NPD8510 Clinical (unspecified phase)
0.6987 Remote Similarity NPD5507 Approved
0.6987 Remote Similarity NPD6716 Phase 1
0.6987 Remote Similarity NPD5873 Phase 3
0.6987 Remote Similarity NPD5833 Phase 1
0.6987 Remote Similarity NPD5874 Phase 3
0.6987 Remote Similarity NPD5506 Approved
0.6986 Remote Similarity NPD3928 Approved
0.6986 Remote Similarity NPD3931 Approved
0.6981 Remote Similarity NPD4021 Phase 2
0.6979 Remote Similarity NPD4080 Discontinued
0.6978 Remote Similarity NPD2616 Phase 3
0.6978 Remote Similarity NPD2615 Phase 3
0.6977 Remote Similarity NPD4418 Discontinued
0.6977 Remote Similarity NPD1602 Discontinued
0.6974 Remote Similarity NPD6501 Approved
0.6974 Remote Similarity NPD6500 Approved
0.6968 Remote Similarity NPD2060 Approved
0.6968 Remote Similarity NPD5601 Phase 2
0.6964 Remote Similarity NPD5067 Phase 2
0.6964 Remote Similarity NPD5066 Phase 2
0.6963 Remote Similarity NPD9689 Approved
0.696 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6958 Remote Similarity NPD7620 Phase 2
0.6957 Remote Similarity NPD6159 Phase 2
0.6951 Remote Similarity NPD1297 Clinical (unspecified phase)
0.6941 Remote Similarity NPD6592 Clinical (unspecified phase)
0.6934 Remote Similarity NPD2383 Phase 1
0.693 Remote Similarity NPD6046 Clinical (unspecified phase)
0.6926 Remote Similarity NPD5875 Approved
0.6926 Remote Similarity NPD5878 Approved
0.6923 Remote Similarity NPD8512 Phase 3
0.692 Remote Similarity NPD5645 Phase 3
0.6916 Remote Similarity NPD6147 Clinical (unspecified phase)
0.6915 Remote Similarity NPD9398 Clinical (unspecified phase)
0.6914 Remote Similarity NPD3886 Phase 1
0.6914 Remote Similarity NPD5007 Approved
0.6913 Remote Similarity NPD4881 Clinical (unspecified phase)
0.6912 Remote Similarity NPD7948 Phase 1
0.6909 Remote Similarity NPD6975 Discontinued
0.6906 Remote Similarity NPD7671 Approved
0.6906 Remote Similarity NPD7672 Approved
0.6905 Remote Similarity NPD7924 Phase 2
0.6905 Remote Similarity NPD7925 Phase 2
0.6905 Remote Similarity NPD5522 Clinical (unspecified phase)
0.6903 Remote Similarity NPD7571 Clinical (unspecified phase)
0.69 Remote Similarity NPD9382 Approved
0.69 Remote Similarity NPD7194 Discontinued
0.69 Remote Similarity NPD9383 Approved
0.6898 Remote Similarity NPD6590 Discontinued
0.6898 Remote Similarity NPD3810 Clinical (unspecified phase)
0.6897 Remote Similarity NPD4890 Phase 2
0.6897 Remote Similarity NPD926 Approved
0.6897 Remote Similarity NPD925 Approved

Structure

External Identifiers

PubChem CID   395377
ChEMBL   CHEMBL301307
ZINC  

Physicochemical Properties

Molecular Weight:  228.09
ALogP:  -0.4498
MLogP:  2.45
XLogP:  1.817
# Rotatable Bonds:  4
Polar Surface Area:  45.59
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

Download Data

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