Natural Product: NPC478023

Natural Product ID:  NPC478023
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C12H7BrN2O
Standard InCHIKey:  STQWXAYAYAVARZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H7BrN2O/c13-7-5-6-10-11(12(7)16)15-9-4-2-1-3-8(9)14-10/h1-6,16H
Canonical SMILES:  Oc1c(Br)ccc2c1nc1ccccc1n2
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
NPO33647 Streptomyces sp. CNS284 Species Streptomycetaceae Bacteria PMID[21105712]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT365 Individual Protein NAD(P)H dehydrogenase [quinone] 1 Mus musculus Ratio = 0.7 21105712
NPT2 Others Unspecified Inhibition = 50 % 21105712
NPT2 Others Unspecified IC50 = 73000 nM 21105712
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 31.5 % 21105712
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 100 nM 21105712
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 6250 nM 27018907
NPT1277 Organism Staphylococcus epidermidis ATCC 12228 Staphylococcus epidermidis ATCC 12228 MIC = 1.7 ug/ml 27018907

  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 NPC478023 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
0.8951 High Similarity NPC120798
0.8896 High Similarity NPC79911
0.848 Intermediate Similarity NPC95898
0.8303 Intermediate Similarity NPC36168
0.8056 Intermediate Similarity NPC314573
0.8035 Intermediate Similarity NPC1527
0.7967 Intermediate Similarity NPC110741
0.7637 Intermediate Similarity NPC118776
0.7543 Intermediate Similarity NPC285635
0.736 Intermediate Similarity NPC471736
0.7253 Intermediate Similarity NPC258773
0.7112 Intermediate Similarity NPC478032
0.7108 Intermediate Similarity NPC250448
0.703 Intermediate Similarity NPC308392
0.7015 Intermediate Similarity NPC476121
0.7015 Intermediate Similarity NPC476124
0.6989 Remote Similarity NPC288445
0.6985 Remote Similarity NPC470586
0.6961 Remote Similarity NPC25899
0.6954 Remote Similarity NPC474188
0.6923 Remote Similarity NPC48192
0.6897 Remote Similarity NPC470404
0.6897 Remote Similarity NPC470403
0.6897 Remote Similarity NPC470394
0.6875 Remote Similarity NPC142901
0.684 Remote Similarity NPC470501
0.6839 Remote Similarity NPC60553
0.6834 Remote Similarity NPC192315
0.6828 Remote Similarity NPC314940
0.6828 Remote Similarity NPC473764
0.6818 Remote Similarity NPC470395
0.6808 Remote Similarity NPC470503
0.68 Remote Similarity NPC476167
0.6758 Remote Similarity NPC116573
0.6742 Remote Similarity NPC257142
0.6714 Remote Similarity NPC470502
0.6701 Remote Similarity NPC42591
0.6685 Remote Similarity NPC220523
0.6684 Remote Similarity NPC44161
0.6667 Remote Similarity NPC474409
0.6634 Remote Similarity NPC470505
0.6632 Remote Similarity NPC266551
0.6632 Remote Similarity NPC161887
0.6632 Remote Similarity NPC219963
0.663 Remote Similarity NPC284348
0.663 Remote Similarity NPC153769
0.6584 Remote Similarity NPC143156
0.6579 Remote Similarity NPC247980
0.6542 Remote Similarity NPC292958
0.6526 Remote Similarity NPC252590
0.6512 Remote Similarity NPC174421
0.6505 Remote Similarity NPC53144
0.6505 Remote Similarity NPC200836
0.65 Remote Similarity NPC161292
0.6485 Remote Similarity NPC222018
0.6482 Remote Similarity NPC144381
0.6468 Remote Similarity NPC245348
0.6468 Remote Similarity NPC226202
0.6462 Remote Similarity NPC314394
0.6447 Remote Similarity NPC20249
0.6443 Remote Similarity NPC72980
0.6438 Remote Similarity NPC60006
0.6436 Remote Similarity NPC118511
0.6429 Remote Similarity NPC212535
0.6425 Remote Similarity NPC288943
0.6419 Remote Similarity NPC174576
0.6415 Remote Similarity NPC128084
0.6404 Remote Similarity NPC318935
0.6398 Remote Similarity NPC26850
0.6398 Remote Similarity NPC5145
0.6396 Remote Similarity NPC62069
0.6396 Remote Similarity NPC190007
0.6378 Remote Similarity NPC63562
0.6368 Remote Similarity NPC246518
0.6364 Remote Similarity NPC84508
0.6364 Remote Similarity NPC94943
0.6354 Remote Similarity NPC14651
0.6354 Remote Similarity NPC121658
0.635 Remote Similarity NPC230805
0.6348 Remote Similarity NPC280853
0.6347 Remote Similarity NPC211416
0.6344 Remote Similarity NPC477889
0.6338 Remote Similarity NPC294620
0.6337 Remote Similarity NPC324149
0.633 Remote Similarity NPC63338
0.633 Remote Similarity NPC324203
0.633 Remote Similarity NPC322976
0.6326 Remote Similarity NPC8022
0.6326 Remote Similarity NPC470799
0.6321 Remote Similarity NPC208060
0.6321 Remote Similarity NPC85273
0.6316 Remote Similarity NPC472259
0.6316 Remote Similarity NPC470500
0.6313 Remote Similarity NPC245657
0.6313 Remote Similarity NPC285016
0.6313 Remote Similarity NPC255110
0.6311 Remote Similarity NPC18487
0.631 Remote Similarity NPC269919
0.631 Remote Similarity NPC132680
0.6308 Remote Similarity NPC96890
0.6308 Remote Similarity NPC219848
0.6308 Remote Similarity NPC283152
0.6303 Remote Similarity NPC18348
0.6302 Remote Similarity NPC476518
0.6294 Remote Similarity NPC144114
0.6292 Remote Similarity NPC471596
0.6286 Remote Similarity NPC477113
0.6276 Remote Similarity NPC256268
0.6268 Remote Similarity NPC223427
0.6263 Remote Similarity NPC159319
0.625 Remote Similarity NPC477110
0.625 Remote Similarity NPC218388
0.6239 Remote Similarity NPC97902
0.6238 Remote Similarity NPC475070
0.6237 Remote Similarity NPC111624
0.6237 Remote Similarity NPC26872
0.6234 Remote Similarity NPC470504
0.6233 Remote Similarity NPC477610
0.6231 Remote Similarity NPC203635
0.623 Remote Similarity NPC471178
0.6226 Remote Similarity NPC477111
0.6225 Remote Similarity NPC230403
0.622 Remote Similarity NPC473761
0.622 Remote Similarity NPC211813
0.622 Remote Similarity NPC66815
0.6214 Remote Similarity NPC267928
0.6211 Remote Similarity NPC162002
0.6211 Remote Similarity NPC315214
0.6211 Remote Similarity NPC177404
0.6211 Remote Similarity NPC224632
0.6211 Remote Similarity NPC47298
0.6209 Remote Similarity NPC471598
0.6197 Remote Similarity NPC209769
0.6197 Remote Similarity NPC80596
0.6193 Remote Similarity NPC88363
0.619 Remote Similarity NPC476138
0.619 Remote Similarity NPC291609
0.619 Remote Similarity NPC245816
0.6184 Remote Similarity NPC26641
0.6181 Remote Similarity NPC243058
0.618 Remote Similarity NPC328029
0.6178 Remote Similarity NPC32028
0.6178 Remote Similarity NPC97367
0.6178 Remote Similarity NPC263439
0.6178 Remote Similarity NPC211187
0.6173 Remote Similarity NPC121903
0.6166 Remote Similarity NPC278874
0.6164 Remote Similarity NPC473179
0.6164 Remote Similarity NPC193267
0.6164 Remote Similarity NPC213530
0.6163 Remote Similarity NPC151489
0.6154 Remote Similarity NPC128823
0.615 Remote Similarity NPC279189
0.615 Remote Similarity NPC320394
0.615 Remote Similarity NPC200553
0.6147 Remote Similarity NPC124300
0.6139 Remote Similarity NPC66083
0.6139 Remote Similarity NPC46580
0.6134 Remote Similarity NPC256828
0.6131 Remote Similarity NPC477891
0.613 Remote Similarity NPC37152
0.613 Remote Similarity NPC477861
0.6126 Remote Similarity NPC59779
0.6126 Remote Similarity NPC124542
0.6126 Remote Similarity NPC167908
0.6126 Remote Similarity NPC471177
0.6124 Remote Similarity NPC315957
0.6124 Remote Similarity NPC19872
0.6121 Remote Similarity NPC469589
0.6106 Remote Similarity NPC476451
0.6103 Remote Similarity NPC105758
0.6103 Remote Similarity NPC253810
0.6103 Remote Similarity NPC476686
0.6103 Remote Similarity NPC476688
0.6101 Remote Similarity NPC74969
0.61 Remote Similarity NPC48938
0.6096 Remote Similarity NPC245055
0.6096 Remote Similarity NPC33064
0.6096 Remote Similarity NPC174489
0.6095 Remote Similarity NPC232727
0.6089 Remote Similarity NPC90415
0.6085 Remote Similarity NPC141353
0.6071 Remote Similarity NPC214142
0.6071 Remote Similarity NPC471294
0.6071 Remote Similarity NPC259545
0.607 Remote Similarity NPC156059
0.6068 Remote Similarity NPC329541
0.6068 Remote Similarity NPC310618
0.6058 Remote Similarity NPC70956
0.6058 Remote Similarity NPC243834
0.6058 Remote Similarity NPC153042
0.6051 Remote Similarity NPC126481
0.6051 Remote Similarity NPC164664
0.6048 Remote Similarity NPC249040
0.6047 Remote Similarity NPC185782
0.6045 Remote Similarity NPC197141
0.6045 Remote Similarity NPC477609
0.6045 Remote Similarity NPC173080
0.6044 Remote Similarity NPC124920
0.6044 Remote Similarity NPC34580

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478023 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
0.6825 Remote Similarity NPD6159 Phase 2
0.6763 Remote Similarity NPD9076 Clinical (unspecified phase)
0.672 Remote Similarity NPD9690 Approved
0.6683 Remote Similarity NPD1838 Clinical (unspecified phase)
0.6585 Remote Similarity NPD6991 Approved
0.6541 Remote Similarity NPD604 Clinical (unspecified phase)
0.6531 Remote Similarity NPD2762 Phase 2
0.6528 Remote Similarity NPD1503 Clinical (unspecified phase)
0.6505 Remote Similarity NPD9705 Discontinued
0.6505 Remote Similarity NPD112 Approved
0.6467 Remote Similarity NPD948 Phase 3
0.6459 Remote Similarity NPD7672 Approved
0.6459 Remote Similarity NPD7671 Approved
0.6455 Remote Similarity NPD425 Approved
0.6455 Remote Similarity NPD424 Approved
0.6452 Remote Similarity NPD935 Clinical (unspecified phase)
0.6448 Remote Similarity NPD2882 Phase 1
0.6436 Remote Similarity NPD861 Approved
0.6436 Remote Similarity NPD863 Approved
0.6436 Remote Similarity NPD862 Approved
0.6368 Remote Similarity NPD1468 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5530 Phase 1
0.635 Remote Similarity NPD9714 Clinical (unspecified phase)
0.635 Remote Similarity NPD408 Approved
0.6341 Remote Similarity NPD712 Clinical (unspecified phase)
0.6333 Remote Similarity NPD6290 Phase 2
0.633 Remote Similarity NPD9398 Clinical (unspecified phase)
0.6311 Remote Similarity NPD2176 Approved
0.6311 Remote Similarity NPD2175 Phase 3
0.6311 Remote Similarity NPD2177 Approved
0.631 Remote Similarity NPD9383 Approved
0.631 Remote Similarity NPD9382 Approved
0.6305 Remote Similarity NPD9695 Approved
0.6293 Remote Similarity NPD1622 Discontinued
0.6277 Remote Similarity NPD3433 Clinical (unspecified phase)
0.627 Remote Similarity NPD9706 Clinical (unspecified phase)
0.6256 Remote Similarity NPD9689 Approved
0.6256 Remote Similarity NPD7726 Phase 1
0.6238 Remote Similarity NPD5316 Approved
0.6231 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6215 Remote Similarity NPD5936 Approved
0.6215 Remote Similarity NPD5939 Approved
0.6215 Remote Similarity NPD4502 Phase 2
0.6212 Remote Similarity NPD7867 Phase 1
0.6211 Remote Similarity NPD1685 Approved
0.6211 Remote Similarity NPD1684 Approved
0.6201 Remote Similarity NPD2323 Clinical (unspecified phase)
0.6198 Remote Similarity NPD4554 Clinical (unspecified phase)
0.6195 Remote Similarity NPD6861 Clinical (unspecified phase)
0.6183 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6183 Remote Similarity NPD6158 Phase 2
0.6181 Remote Similarity NPD5522 Clinical (unspecified phase)
0.6147 Remote Similarity NPD5409 Clinical (unspecified phase)
0.6139 Remote Similarity NPD2383 Phase 1
0.6138 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6138 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6138 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6132 Remote Similarity NPD3932 Clinical (unspecified phase)
0.6124 Remote Similarity NPD1740 Approved
0.6124 Remote Similarity NPD1739 Approved
0.6122 Remote Similarity NPD6492 Phase 2
0.612 Remote Similarity NPD3813 Approved
0.6119 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6119 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6119 Remote Similarity NPD6227 Discontinued
0.6103 Remote Similarity NPD3930 Clinical (unspecified phase)
0.6087 Remote Similarity NPD774 Phase 3
0.6077 Remote Similarity NPD9688 Approved
0.6077 Remote Similarity NPD9687 Approved
0.6066 Remote Similarity NPD3525 Discontinued
0.6062 Remote Similarity NPD926 Approved
0.6062 Remote Similarity NPD925 Approved
0.6057 Remote Similarity NPD5352 Clinical (unspecified phase)
0.6055 Remote Similarity NPD5417 Clinical (unspecified phase)
0.605 Remote Similarity NPD4203 Approved
0.605 Remote Similarity NPD4204 Approved
0.6041 Remote Similarity NPD158 Discontinued
0.6035 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6029 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6021 Remote Similarity NPD5255 Approved
0.6019 Remote Similarity NPD4372 Phase 1
0.6012 Remote Similarity NPD313 Approved
0.6009 Remote Similarity NPD4795 Phase 2
0.6 Remote Similarity NPD7603 Discontinued
0.6 Remote Similarity NPD2916 Discontinued
0.5991 Remote Similarity NPD2540 Clinical (unspecified phase)
0.5991 Remote Similarity NPD1900 Clinical (unspecified phase)
0.599 Remote Similarity NPD3224 Phase 2
0.5989 Remote Similarity NPD1183 Approved
0.598 Remote Similarity NPD6393 Clinical (unspecified phase)
0.5967 Remote Similarity NPD1169 Approved
0.5963 Remote Similarity NPD2794 Discontinued
0.5962 Remote Similarity NPD6590 Discontinued
0.5956 Remote Similarity NPD4890 Phase 2
0.5955 Remote Similarity NPD2433 Clinical (unspecified phase)
0.5953 Remote Similarity NPD7222 Phase 2
0.5952 Remote Similarity NPD772 Phase 3
0.5952 Remote Similarity NPD2727 Phase 2
0.5952 Remote Similarity NPD7889 Clinical (unspecified phase)
0.5942 Remote Similarity NPD5317 Clinical (unspecified phase)
0.5939 Remote Similarity NPD3746 Discontinued
0.5936 Remote Similarity NPD2314 Clinical (unspecified phase)
0.5936 Remote Similarity NPD2772 Clinical (unspecified phase)
0.5934 Remote Similarity NPD852 Discontinued
0.5929 Remote Similarity NPD1603 Discontinued
0.5926 Remote Similarity NPD5863 Clinical (unspecified phase)
0.592 Remote Similarity NPD6452 Discontinued
0.5918 Remote Similarity NPD2781 Approved
0.5915 Remote Similarity NPD5495 Phase 2
0.5913 Remote Similarity NPD5575 Clinical (unspecified phase)
0.5907 Remote Similarity NPD4305 Clinical (unspecified phase)
0.5905 Remote Similarity NPD1229 Phase 2
0.5905 Remote Similarity NPD7948 Phase 1
0.5903 Remote Similarity NPD2349 Phase 3
0.5897 Remote Similarity NPD2782 Approved
0.5897 Remote Similarity NPD2780 Approved
0.5874 Remote Similarity NPD7194 Discontinued
0.5871 Remote Similarity NPD3920 Phase 2
0.587 Remote Similarity NPD1649 Discontinued
0.5867 Remote Similarity NPD1856 Discontinued
0.5865 Remote Similarity NPD6569 Phase 2
0.5864 Remote Similarity NPD2615 Phase 3
0.5864 Remote Similarity NPD2616 Phase 3
0.5859 Remote Similarity NPD2123 Phase 3
0.5857 Remote Similarity NPD5512 Phase 3
0.5856 Remote Similarity NPD1744 Approved
0.5853 Remote Similarity NPD5658 Approved
0.5849 Remote Similarity NPD8395 Approved
0.5849 Remote Similarity NPD3814 Phase 1
0.5849 Remote Similarity NPD8396 Approved
0.5848 Remote Similarity NPD5930 Phase 3
0.5847 Remote Similarity NPD7068 Approved
0.5847 Remote Similarity NPD7067 Approved
0.5845 Remote Similarity NPD1213 Phase 3
0.5845 Remote Similarity NPD4131 Phase 3
0.5845 Remote Similarity NPD3570 Phase 2
0.5845 Remote Similarity NPD3321 Discontinued
0.5842 Remote Similarity NPD9510 Approved
0.5841 Remote Similarity NPD6306 Phase 2
0.5833 Remote Similarity NPD2468 Approved
0.5833 Remote Similarity NPD3003 Approved
0.5833 Remote Similarity NPD2469 Approved
0.5826 Remote Similarity NPD8106 Phase 2
0.5825 Remote Similarity NPD6141 Clinical (unspecified phase)
0.5825 Remote Similarity NPD1034 Phase 3
0.5825 Remote Similarity NPD1033 Clinical (unspecified phase)
0.5819 Remote Similarity NPD9080 Approved
0.5819 Remote Similarity NPD9284 Approved
0.5819 Remote Similarity NPD2951 Discontinued
0.5815 Remote Similarity NPD4401 Phase 2
0.5815 Remote Similarity NPD6246 Approved
0.5815 Remote Similarity NPD4403 Phase 3
0.5811 Remote Similarity NPD5287 Discontinued
0.581 Remote Similarity NPD6491 Clinical (unspecified phase)
0.5808 Remote Similarity NPD565 Phase 2
0.5806 Remote Similarity NPD7453 Approved
0.5806 Remote Similarity NPD7452 Approved
0.5805 Remote Similarity NPD8116 Phase 3
0.5805 Remote Similarity NPD8117 Approved
0.5801 Remote Similarity NPD2984 Phase 2
0.5792 Remote Similarity NPD3986 Discontinued
0.5787 Remote Similarity NPD7712 Clinical (unspecified phase)
0.5787 Remote Similarity NPD1095 Clinical (unspecified phase)
0.5783 Remote Similarity NPD3302 Clinical (unspecified phase)
0.5777 Remote Similarity NPD706 Phase 1
0.5777 Remote Similarity NPD5256 Discontinued
0.5775 Remote Similarity NPD3541 Clinical (unspecified phase)
0.5775 Remote Similarity NPD1768 Approved
0.5775 Remote Similarity NPD4548 Discontinued
0.5773 Remote Similarity NPD6060 Clinical (unspecified phase)
0.5771 Remote Similarity NPD2382 Approved
0.5771 Remote Similarity NPD2380 Approved
0.5771 Remote Similarity NPD2381 Approved
0.5771 Remote Similarity NPD5100 Phase 3
0.5769 Remote Similarity NPD4368 Phase 2
0.5767 Remote Similarity NPD3931 Approved
0.5767 Remote Similarity NPD3928 Approved
0.5765 Remote Similarity NPD444 Approved
0.5758 Remote Similarity NPD1505 Phase 2
0.5755 Remote Similarity NPD6988 Phase 1
0.5751 Remote Similarity NPD3838 Phase 3
0.575 Remote Similarity NPD7418 Discontinued
0.5749 Remote Similarity NPD308 Approved
0.5743 Remote Similarity NPD5751 Clinical (unspecified phase)
0.5738 Remote Similarity NPD5051 Phase 1
0.5735 Remote Similarity NPD1602 Discontinued
0.5733 Remote Similarity NPD3875 Discontinued
0.5729 Remote Similarity NPD1326 Approved
0.5729 Remote Similarity NPD1325 Approved
0.5729 Remote Similarity NPD7474 Suspended
0.5729 Remote Similarity NPD4724 Clinical (unspecified phase)
0.5727 Remote Similarity NPD1954 Phase 1
0.5721 Remote Similarity NPD7676 Clinical (unspecified phase)
0.5721 Remote Similarity NPD7426 Phase 1
0.5721 Remote Similarity NPD7674 Phase 3
0.5721 Remote Similarity NPD7675 Phase 3
0.5721 Remote Similarity NPD1273 Discontinued
0.5721 Remote Similarity NPD5065 Approved
0.572 Remote Similarity NPD3292 Discontinued
0.5714 Remote Similarity NPD5164 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1802196
ZINC  

Physicochemical Properties

Molecular Weight:  273.97
ALogP:  0.4285
MLogP:  2.34
XLogP:  3.079
# Rotatable Bonds:  2
Polar Surface Area:  46.01
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  16

Download Data

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