Natural Product: NPC471132

Natural Product ID:  NPC471132
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C17H13N3O3
Standard InCHIKey:  QAMUEVCOVRRFPK-JTQLQIEISA-N
Standard InCHI:  InChI=1S/C17H13N3O3/c1-10-14-19-16-12(7-4-5-9-23-16)17(22)20(14)13-8-3-2-6-11(13)15(21)18-10/h2-10H,1H3,(H,18,21)/t10-/m0/s1
Canonical SMILES:  C[C@@H]1N=C(O)c2c(n3c1nc1OC=CC=Cc1c3=O)cccc2
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
NPO32643 aspergillus westerdijkiae dffscs013 Species Aspergillaceae Eukaryota PMID[23701598]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 > 10000 nM 15711537
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 23691978
NPT116 Cell Line HL-60 Homo sapiens IC50 > 10000 nM 11429990
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 12880308

  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 NPC471132 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
0.8599 High Similarity NPC471130
0.8471 Intermediate Similarity NPC88970
0.7771 Intermediate Similarity NPC92803
0.777 Intermediate Similarity NPC226662
0.7682 Intermediate Similarity NPC184437
0.7657 Intermediate Similarity NPC18890
0.745 Intermediate Similarity NPC250476
0.7434 Intermediate Similarity NPC325479
0.7329 Intermediate Similarity NPC254798
0.732 Intermediate Similarity NPC476687
0.732 Intermediate Similarity NPC476685
0.732 Intermediate Similarity NPC476689
0.7255 Intermediate Similarity NPC231382
0.7171 Intermediate Similarity NPC476950
0.7126 Intermediate Similarity NPC475594
0.7086 Intermediate Similarity NPC475607
0.7045 Intermediate Similarity NPC474081
0.7024 Intermediate Similarity NPC84317
0.7 Intermediate Similarity NPC27904
0.6973 Remote Similarity NPC198401
0.6959 Remote Similarity NPC191863
0.6959 Remote Similarity NPC289776
0.6959 Remote Similarity NPC133470
0.694 Remote Similarity NPC471196
0.694 Remote Similarity NPC471195
0.6923 Remote Similarity NPC473815
0.691 Remote Similarity NPC474041
0.691 Remote Similarity NPC475761
0.6872 Remote Similarity NPC475685
0.6871 Remote Similarity NPC308197
0.686 Remote Similarity NPC476231
0.6855 Remote Similarity NPC300299
0.6848 Remote Similarity NPC324445
0.6842 Remote Similarity NPC154478
0.6821 Remote Similarity NPC189116
0.6797 Remote Similarity NPC283130
0.6797 Remote Similarity NPC328683
0.6771 Remote Similarity NPC295548
0.6753 Remote Similarity NPC471155
0.6718 Remote Similarity NPC270241
0.671 Remote Similarity NPC325013
0.6705 Remote Similarity NPC320064
0.6701 Remote Similarity NPC225400
0.6685 Remote Similarity NPC150308
0.6667 Remote Similarity NPC470787
0.6667 Remote Similarity NPC472540
0.6667 Remote Similarity NPC242000
0.6667 Remote Similarity NPC207428
0.6667 Remote Similarity NPC472538
0.6667 Remote Similarity NPC470786
0.6667 Remote Similarity NPC472539
0.6632 Remote Similarity NPC472541
0.6632 Remote Similarity NPC472542
0.6626 Remote Similarity NPC83214
0.6621 Remote Similarity NPC37584
0.6609 Remote Similarity NPC68650
0.6603 Remote Similarity NPC474479
0.66 Remote Similarity NPC288232
0.6597 Remote Similarity NPC212213
0.6564 Remote Similarity NPC287358
0.6564 Remote Similarity NPC122553
0.6545 Remote Similarity NPC2823
0.6503 Remote Similarity NPC39822
0.6503 Remote Similarity NPC325599
0.6494 Remote Similarity NPC211525
0.6494 Remote Similarity NPC153694
0.6488 Remote Similarity NPC470824
0.6486 Remote Similarity NPC470003
0.6485 Remote Similarity NPC207554
0.6481 Remote Similarity NPC253476
0.6478 Remote Similarity NPC259098
0.6478 Remote Similarity NPC197680
0.6467 Remote Similarity NPC296163
0.6463 Remote Similarity NPC164802
0.6457 Remote Similarity NPC471122
0.6447 Remote Similarity NPC147957
0.6444 Remote Similarity NPC355
0.6437 Remote Similarity NPC94167
0.6437 Remote Similarity NPC172937
0.6433 Remote Similarity NPC144691
0.6429 Remote Similarity NPC471743
0.6425 Remote Similarity NPC239954
0.6425 Remote Similarity NPC278874
0.6422 Remote Similarity NPC248601
0.642 Remote Similarity NPC143457
0.64 Remote Similarity NPC104345
0.6398 Remote Similarity NPC471742
0.6393 Remote Similarity NPC14325
0.6393 Remote Similarity NPC28848
0.6389 Remote Similarity NPC65080
0.6387 Remote Similarity NPC198673
0.6386 Remote Similarity NPC472243
0.6378 Remote Similarity NPC295898
0.6374 Remote Similarity NPC237649
0.6374 Remote Similarity NPC300596
0.6373 Remote Similarity NPC15384
0.6373 Remote Similarity NPC244425
0.6369 Remote Similarity NPC472114
0.6369 Remote Similarity NPC182131
0.6369 Remote Similarity NPC472115
0.6368 Remote Similarity NPC129909
0.6364 Remote Similarity NPC148468
0.6364 Remote Similarity NPC243673
0.6364 Remote Similarity NPC97380
0.6364 Remote Similarity NPC310403
0.6364 Remote Similarity NPC263709
0.6364 Remote Similarity NPC63210
0.6354 Remote Similarity NPC476688
0.6354 Remote Similarity NPC105758
0.6354 Remote Similarity NPC476686
0.6348 Remote Similarity NPC476118
0.6347 Remote Similarity NPC22082
0.6347 Remote Similarity NPC186284
0.6347 Remote Similarity NPC43477
0.634 Remote Similarity NPC168911
0.6337 Remote Similarity NPC288445
0.6332 Remote Similarity NPC16249
0.633 Remote Similarity NPC90415
0.633 Remote Similarity NPC291759
0.6327 Remote Similarity NPC471944
0.6316 Remote Similarity NPC205652
0.6313 Remote Similarity NPC471124
0.6305 Remote Similarity NPC151781
0.6305 Remote Similarity NPC316181
0.6305 Remote Similarity NPC74562
0.6299 Remote Similarity NPC192209
0.6296 Remote Similarity NPC314098
0.6293 Remote Similarity NPC471197
0.6292 Remote Similarity NPC224632
0.6292 Remote Similarity NPC472117
0.629 Remote Similarity NPC270301
0.6287 Remote Similarity NPC315051
0.6278 Remote Similarity NPC278887
0.6277 Remote Similarity NPC133591
0.6273 Remote Similarity NPC469666
0.6271 Remote Similarity NPC301163
0.6264 Remote Similarity NPC158129
0.6263 Remote Similarity NPC61435
0.6262 Remote Similarity NPC471198
0.6257 Remote Similarity NPC138293
0.6257 Remote Similarity NPC259678
0.6257 Remote Similarity NPC243058
0.6257 Remote Similarity NPC9373
0.6257 Remote Similarity NPC113056
0.625 Remote Similarity NPC141353
0.625 Remote Similarity NPC314141
0.6243 Remote Similarity NPC207033
0.6243 Remote Similarity NPC38823
0.6242 Remote Similarity NPC173295
0.6237 Remote Similarity NPC24864
0.6236 Remote Similarity NPC474058
0.623 Remote Similarity NPC174629
0.623 Remote Similarity NPC34508
0.623 Remote Similarity NPC208060
0.6229 Remote Similarity NPC281094
0.6229 Remote Similarity NPC295021
0.6224 Remote Similarity NPC106118
0.6223 Remote Similarity NPC203635
0.6222 Remote Similarity NPC52059
0.6222 Remote Similarity NPC470069
0.6221 Remote Similarity NPC13470
0.622 Remote Similarity NPC220851
0.6216 Remote Similarity NPC326575
0.6216 Remote Similarity NPC14849
0.6216 Remote Similarity NPC219848
0.6213 Remote Similarity NPC472241
0.6212 Remote Similarity NPC311357
0.6207 Remote Similarity NPC154602
0.6205 Remote Similarity NPC471199
0.6205 Remote Similarity NPC316282
0.6203 Remote Similarity NPC477891
0.6202 Remote Similarity NPC128115
0.6201 Remote Similarity NPC85651
0.6201 Remote Similarity NPC472121
0.62 Remote Similarity NPC471191
0.6199 Remote Similarity NPC311658
0.6196 Remote Similarity NPC470548
0.6193 Remote Similarity NPC161827
0.619 Remote Similarity NPC242933
0.6188 Remote Similarity NPC300631
0.6188 Remote Similarity NPC205946
0.6185 Remote Similarity NPC321617
0.6183 Remote Similarity NPC131450
0.6183 Remote Similarity NPC256268
0.6183 Remote Similarity NPC147298
0.6183 Remote Similarity NPC182057
0.6176 Remote Similarity NPC60553
0.6173 Remote Similarity NPC150863
0.6171 Remote Similarity NPC117032
0.6171 Remote Similarity NPC285381
0.6169 Remote Similarity NPC53344
0.6168 Remote Similarity NPC77992
0.6167 Remote Similarity NPC292143
0.6167 Remote Similarity NPC313757
0.6167 Remote Similarity NPC139506
0.6162 Remote Similarity NPC134586
0.6162 Remote Similarity NPC129624
0.6158 Remote Similarity NPC311858
0.6158 Remote Similarity NPC29285
0.6154 Remote Similarity NPC220698

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471132 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
0.7516 Intermediate Similarity NPD2791 Discontinued
0.75 Intermediate Similarity NPD7735 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD4871 Phase 2
0.733 Intermediate Similarity NPD5923 Phase 1
0.7296 Intermediate Similarity NPD4430 Phase 2
0.7278 Intermediate Similarity NPD3363 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD5042 Phase 1
0.7239 Intermediate Similarity NPD5546 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD6557 Phase 2
0.7188 Intermediate Similarity NPD6301 Phase 2
0.7182 Intermediate Similarity NPD6022 Clinical (unspecified phase)
0.7127 Intermediate Similarity NPD3439 Approved
0.7069 Intermediate Similarity NPD5078 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD1594 Phase 3
0.7051 Intermediate Similarity NPD1595 Approved
0.7049 Intermediate Similarity NPD6887 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD6707 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3277 Phase 3
0.6951 Remote Similarity NPD5839 Clinical (unspecified phase)
0.6941 Remote Similarity NPD4485 Approved
0.6933 Remote Similarity NPD2387 Approved
0.6914 Remote Similarity NPD1165 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1919 Approved
0.6879 Remote Similarity NPD1920 Approved
0.6867 Remote Similarity NPD1664 Clinical (unspecified phase)
0.6831 Remote Similarity NPD4515 Suspended
0.6829 Remote Similarity NPD3016 Clinical (unspecified phase)
0.6815 Remote Similarity NPD1001 Discontinued
0.6805 Remote Similarity NPD2603 Clinical (unspecified phase)
0.6797 Remote Similarity NPD478 Approved
0.6747 Remote Similarity NPD3278 Clinical (unspecified phase)
0.6746 Remote Similarity NPD2882 Phase 1
0.6727 Remote Similarity NPD6506 Clinical (unspecified phase)
0.6725 Remote Similarity NPD2469 Approved
0.6725 Remote Similarity NPD2468 Approved
0.6725 Remote Similarity NPD6395 Phase 2
0.6725 Remote Similarity NPD6396 Clinical (unspecified phase)
0.6721 Remote Similarity NPD2814 Clinical (unspecified phase)
0.6704 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6703 Remote Similarity NPD4334 Discontinued
0.6686 Remote Similarity NPD1861 Discovery
0.6685 Remote Similarity NPD6879 Phase 2
0.6685 Remote Similarity NPD6878 Phase 2
0.6667 Remote Similarity NPD3487 Phase 1
0.6667 Remote Similarity NPD4432 Discontinued
0.6667 Remote Similarity NPD3321 Discontinued
0.6667 Remote Similarity NPD5423 Phase 2
0.6667 Remote Similarity NPD3864 Clinical (unspecified phase)
0.6649 Remote Similarity NPD6141 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7599 Phase 2
0.6632 Remote Similarity NPD5515 Phase 2
0.6629 Remote Similarity NPD3789 Approved
0.6629 Remote Similarity NPD3883 Clinical (unspecified phase)
0.6624 Remote Similarity NPD2146 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6611 Remote Similarity NPD4020 Clinical (unspecified phase)
0.6609 Remote Similarity NPD7600 Phase 2
0.6609 Remote Similarity NPD5989 Phase 1
0.6607 Remote Similarity NPD1886 Approved
0.6606 Remote Similarity NPD1908 Phase 2
0.6596 Remote Similarity NPD3406 Suspended
0.6588 Remote Similarity NPD6575 Clinical (unspecified phase)
0.6582 Remote Similarity NPD995 Clinical (unspecified phase)
0.6552 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6552 Remote Similarity NPD4514 Approved
0.6543 Remote Similarity NPD2470 Clinical (unspecified phase)
0.6536 Remote Similarity NPD3824 Phase 1
0.6532 Remote Similarity NPD7091 Discontinued
0.6524 Remote Similarity NPD8025 Phase 2
0.6522 Remote Similarity NPD1316 Discontinued
0.651 Remote Similarity NPD5856 Discontinued
0.6509 Remote Similarity NPD7441 Clinical (unspecified phase)
0.6508 Remote Similarity NPD4315 Phase 2
0.6506 Remote Similarity NPD4168 Approved
0.6503 Remote Similarity NPD1883 Approved
0.6503 Remote Similarity NPD1998 Approved
0.6497 Remote Similarity NPD7591 Clinical (unspecified phase)
0.6491 Remote Similarity NPD1865 Approved
0.6485 Remote Similarity NPD1870 Approved
0.6485 Remote Similarity NPD3605 Approved
0.6485 Remote Similarity NPD3068 Approved
0.6484 Remote Similarity NPD3793 Phase 3
0.6477 Remote Similarity NPD5551 Clinical (unspecified phase)
0.6474 Remote Similarity NPD3403 Clinical (unspecified phase)
0.6474 Remote Similarity NPD3631 Phase 3
0.6474 Remote Similarity NPD4539 Phase 1
0.6471 Remote Similarity NPD5942 Approved
0.6471 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5941 Approved
0.6468 Remote Similarity NPD7616 Discontinued
0.6467 Remote Similarity NPD4204 Approved
0.6467 Remote Similarity NPD4203 Approved
0.6464 Remote Similarity NPD5153 Clinical (unspecified phase)
0.6464 Remote Similarity NPD6316 Clinical (unspecified phase)
0.6463 Remote Similarity NPD477 Phase 1
0.6456 Remote Similarity NPD2840 Approved
0.6453 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6453 Remote Similarity NPD6158 Phase 2
0.6453 Remote Similarity NPD5663 Discontinued
0.645 Remote Similarity NPD4351 Clinical (unspecified phase)
0.6447 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6447 Remote Similarity NPD3123 Discovery
0.6444 Remote Similarity NPD4150 Clinical (unspecified phase)
0.6438 Remote Similarity NPD1271 Clinical (unspecified phase)
0.6437 Remote Similarity NPD2527 Approved
0.6436 Remote Similarity NPD7855 Clinical (unspecified phase)
0.6429 Remote Similarity NPD3802 Phase 3
0.6429 Remote Similarity NPD2210 Approved
0.6429 Remote Similarity NPD2212 Approved
0.6424 Remote Similarity NPD5631 Phase 3
0.6421 Remote Similarity NPD5214 Phase 2
0.6419 Remote Similarity NPD1539 Approved
0.6418 Remote Similarity NPD7225 Discontinued
0.6413 Remote Similarity NPD5445 Approved
0.6409 Remote Similarity NPD1599 Approved
0.6407 Remote Similarity NPD2578 Phase 3
0.6402 Remote Similarity NPD6136 Phase 2
0.64 Remote Similarity NPD5715 Clinical (unspecified phase)
0.64 Remote Similarity NPD4670 Clinical (unspecified phase)
0.64 Remote Similarity NPD4669 Clinical (unspecified phase)
0.64 Remote Similarity NPD4671 Clinical (unspecified phase)
0.64 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6393 Remote Similarity NPD4317 Approved
0.6392 Remote Similarity NPD1324 Clinical (unspecified phase)
0.6391 Remote Similarity NPD5595 Clinical (unspecified phase)
0.6391 Remote Similarity NPD4711 Clinical (unspecified phase)
0.6391 Remote Similarity NPD6017 Discontinued
0.6386 Remote Similarity NPD1864 Clinical (unspecified phase)
0.6386 Remote Similarity NPD1866 Approved
0.6375 Remote Similarity NPD4895 Clinical (unspecified phase)
0.6374 Remote Similarity NPD5881 Clinical (unspecified phase)
0.6374 Remote Similarity NPD7662 Clinical (unspecified phase)
0.6374 Remote Similarity NPD4682 Phase 2
0.6369 Remote Similarity NPD5024 Approved
0.6369 Remote Similarity NPD3587 Clinical (unspecified phase)
0.6368 Remote Similarity NPD3785 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6403 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5657 Phase 3
0.6358 Remote Similarity NPD3150 Approved
0.6358 Remote Similarity NPD950 Clinical (unspecified phase)
0.6358 Remote Similarity NPD2658 Approved
0.6358 Remote Similarity NPD3306 Approved
0.6358 Remote Similarity NPD3148 Approved
0.6358 Remote Similarity NPD3147 Approved
0.6358 Remote Similarity NPD3149 Approved
0.6358 Remote Similarity NPD2659 Approved
0.6358 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6349 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6348 Remote Similarity NPD5140 Approved
0.6348 Remote Similarity NPD5138 Approved
0.6347 Remote Similarity NPD3069 Approved
0.6347 Remote Similarity NPD4451 Approved
0.6347 Remote Similarity NPD4450 Approved
0.6343 Remote Similarity NPD6855 Clinical (unspecified phase)
0.6341 Remote Similarity NPD679 Approved
0.6337 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6337 Remote Similarity NPD5748 Phase 2
0.6335 Remote Similarity NPD7569 Approved
0.6335 Remote Similarity NPD7570 Approved
0.6327 Remote Similarity NPD1065 Approved
0.6327 Remote Similarity NPD1064 Approved
0.6325 Remote Similarity NPD2733 Approved
0.6324 Remote Similarity NPD6452 Discontinued
0.6322 Remote Similarity NPD2732 Approved
0.6321 Remote Similarity NPD6449 Clinical (unspecified phase)
0.6319 Remote Similarity NPD3137 Clinical (unspecified phase)
0.6319 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6316 Remote Similarity NPD5117 Phase 2
0.6307 Remote Similarity NPD212 Discontinued
0.6302 Remote Similarity NPD6046 Clinical (unspecified phase)
0.6301 Remote Similarity NPD2328 Phase 2
0.6291 Remote Similarity NPD1764 Approved
0.6291 Remote Similarity NPD1762 Approved
0.6289 Remote Similarity NPD3125 Approved
0.6289 Remote Similarity NPD6320 Approved
0.6289 Remote Similarity NPD4985 Clinical (unspecified phase)
0.6287 Remote Similarity NPD2304 Approved
0.6287 Remote Similarity NPD3276 Approved
0.6286 Remote Similarity NPD2891 Approved
0.6286 Remote Similarity NPD7072 Phase 2
0.6286 Remote Similarity NPD1397 Clinical (unspecified phase)
0.6286 Remote Similarity NPD7463 Clinical (unspecified phase)
0.6284 Remote Similarity NPD6492 Phase 2
0.6284 Remote Similarity NPD5966 Clinical (unspecified phase)
0.628 Remote Similarity NPD1106 Discontinued
0.6279 Remote Similarity NPD979 Approved
0.6279 Remote Similarity NPD4942 Approved
0.6279 Remote Similarity NPD4939 Clinical (unspecified phase)
0.6278 Remote Similarity NPD2341 Discontinued
0.6275 Remote Similarity NPD4897 Phase 2
0.6272 Remote Similarity NPD1625 Approved
0.6271 Remote Similarity NPD6738 Phase 2
0.6271 Remote Similarity NPD6737 Phase 2
0.627 Remote Similarity NPD2826 Approved
0.627 Remote Similarity NPD2827 Approved
0.627 Remote Similarity NPD2825 Approved
0.6267 Remote Similarity NPD2583 Phase 2
0.6266 Remote Similarity NPD3622 Clinical (unspecified phase)
0.6266 Remote Similarity NPD3623 Clinical (unspecified phase)
0.6265 Remote Similarity NPD4077 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   71712813
ChEMBL   CHEMBL2375802
ZINC  

Physicochemical Properties

Molecular Weight:  307.10
ALogP:  -0.2455
MLogP:  2.67
XLogP:  1.862
# Rotatable Bonds:  2
Polar Surface Area:  74.49
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  23

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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