Natural Product: NPC472258

Natural Product ID:  NPC472258
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H16N2O
Standard InCHIKey:  YCDNFIFPTPRDLT-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H16N2O/c18-15-11-16-13(14-7-4-10-17(14)15)9-8-12-5-2-1-3-6-12/h1-3,5-6,11H,4,7-10H2
Canonical SMILES:  O=c1cnc(c2n1CCC2)CCc1ccccc1
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
NPO33000 myxobacteria Order NA NA PMID[25397992]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT737 Cell Line HUVEC Homo sapiens IC50 > 41500 nM 20594848
NPT1718 Cell Line A431 Homo sapiens IC50 > 41500 nM 20594848
NPT2 Others Unspecified IC50 > 41500 nM 20594848
NPT2 Others Unspecified IC50 > 41500 nM 23755851
NPT83 Cell Line MCF7 Homo sapiens IC50 > 41500 nM 23755851
NPT81 Cell Line A549 Homo sapiens IC50 > 41500 nM 15387651
NPT2 Others Unspecified MIC = 66.6 ug/ml 18288806
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 66.6 ug/ml 24754786
NPT19 Organism Escherichia coli Escherichia coli MIC = 66.6 ug/ml 18834112
NPT1460 Cell Line L929 Mus musculus IC50 > 41500 nM 19150600
NPT3481 Organism Mucor hiemalis Mucor hiemalis MIC = 33.3 ug/ml 19150600
NPT2 Others Unspecified MIC = 66.6 ug/ml 19150600
NPT772 Organism Pichia anomala Wickerhamomyces anomalus MIC > 66.6 ug/ml 18313174
NPT20 Organism Candida albicans Candida albicans MIC = 33.3 ug/ml 18313174
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 66.6 ug/ml 17698631
NPT2631 Organism Chromobacterium violaceum Chromobacterium violaceum MIC = 66.6 ug/ml 17698631
NPT4585 Organism Mycobacterium diernhoferi Mycobacterium diernhoferi MIC = 33.3 ug/ml Open TG-GATES in vivo data: Hematology
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 66.6 ug/ml Open TG-GATES in vivo data: Hematology
NPT4584 Organism Nocardia sp. Nocardia sp. MIC = 66.6 ug/ml 19261477

  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 NPC472258 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
0.7885 Intermediate Similarity NPC275467
0.7812 Intermediate Similarity NPC17497
0.7812 Intermediate Similarity NPC305602
0.7679 Intermediate Similarity NPC315276
0.7679 Intermediate Similarity NPC285926
0.7679 Intermediate Similarity NPC14672
0.7624 Intermediate Similarity NPC256452
0.7525 Intermediate Similarity NPC474974
0.7524 Intermediate Similarity NPC329375
0.7477 Intermediate Similarity NPC143516
0.7426 Intermediate Similarity NPC473661
0.7407 Intermediate Similarity NPC473498
0.7407 Intermediate Similarity NPC130898
0.7407 Intermediate Similarity NPC474804
0.7407 Intermediate Similarity NPC474973
0.7407 Intermediate Similarity NPC45033
0.7391 Intermediate Similarity NPC220698
0.7368 Intermediate Similarity NPC231986
0.7345 Intermediate Similarity NPC33742
0.7273 Intermediate Similarity NPC473676
0.7227 Intermediate Similarity NPC175726
0.7227 Intermediate Similarity NPC474082
0.7216 Intermediate Similarity NPC474088
0.7156 Intermediate Similarity NPC473418
0.7091 Intermediate Similarity NPC471447
0.708 Intermediate Similarity NPC475013
0.699 Remote Similarity NPC226438
0.6975 Remote Similarity NPC476990
0.6975 Remote Similarity NPC200964
0.6957 Remote Similarity NPC35850
0.6957 Remote Similarity NPC276949
0.6957 Remote Similarity NPC476048
0.6952 Remote Similarity NPC161972
0.6952 Remote Similarity NPC303045
0.6923 Remote Similarity NPC470544
0.6917 Remote Similarity NPC202521
0.6864 Remote Similarity NPC470545
0.686 Remote Similarity NPC252878
0.6857 Remote Similarity NPC71140
0.6832 Remote Similarity NPC203076
0.6822 Remote Similarity NPC311242
0.6814 Remote Similarity NPC164802
0.6807 Remote Similarity NPC470546
0.6803 Remote Similarity NPC46427
0.6803 Remote Similarity NPC6975
0.6772 Remote Similarity NPC207428
0.6765 Remote Similarity NPC471638
0.6765 Remote Similarity NPC53492
0.6752 Remote Similarity NPC246904
0.6735 Remote Similarity NPC475573
0.6735 Remote Similarity NPC475289
0.6702 Remote Similarity NPC244738
0.6699 Remote Similarity NPC262393
0.6695 Remote Similarity NPC473573
0.6694 Remote Similarity NPC27833
0.6667 Remote Similarity NPC473322
0.6667 Remote Similarity NPC271642
0.6639 Remote Similarity NPC71684
0.6639 Remote Similarity NPC239357
0.6638 Remote Similarity NPC275410
0.6614 Remote Similarity NPC200589
0.6602 Remote Similarity NPC473031
0.66 Remote Similarity NPC14326
0.6579 Remote Similarity NPC55529
0.6571 Remote Similarity NPC316108
0.6571 Remote Similarity NPC172128
0.6562 Remote Similarity NPC98976
0.6562 Remote Similarity NPC255447
0.6538 Remote Similarity NPC12429
0.6535 Remote Similarity NPC104070
0.6522 Remote Similarity NPC77294
0.6515 Remote Similarity NPC313694
0.6515 Remote Similarity NPC242159
0.6512 Remote Similarity NPC325479
0.6509 Remote Similarity NPC245259
0.6495 Remote Similarity NPC139658
0.6484 Remote Similarity NPC300315
0.6476 Remote Similarity NPC470877
0.6471 Remote Similarity NPC169016
0.6455 Remote Similarity NPC322598
0.6434 Remote Similarity NPC130309
0.6422 Remote Similarity NPC25565
0.6415 Remote Similarity NPC159178
0.6415 Remote Similarity NPC78041
0.6415 Remote Similarity NPC209764
0.6415 Remote Similarity NPC74936
0.6415 Remote Similarity NPC471307
0.6415 Remote Similarity NPC141139
0.6415 Remote Similarity NPC121872
0.6408 Remote Similarity NPC3210
0.6404 Remote Similarity NPC167336
0.64 Remote Similarity NPC283130
0.64 Remote Similarity NPC328683
0.6389 Remote Similarity NPC7067
0.6381 Remote Similarity NPC325441
0.6364 Remote Similarity NPC473501
0.6364 Remote Similarity NPC475439
0.6356 Remote Similarity NPC269340
0.6355 Remote Similarity NPC470926
0.6336 Remote Similarity NPC287401
0.633 Remote Similarity NPC108339
0.6324 Remote Similarity NPC238499
0.6316 Remote Similarity NPC229235
0.6316 Remote Similarity NPC469974
0.6299 Remote Similarity NPC101719
0.6299 Remote Similarity NPC474479
0.629 Remote Similarity NPC316582
0.6289 Remote Similarity NPC299134
0.6289 Remote Similarity NPC112609
0.6289 Remote Similarity NPC122327
0.6289 Remote Similarity NPC113000
0.6288 Remote Similarity NPC248283
0.6288 Remote Similarity NPC141050
0.6279 Remote Similarity NPC111428
0.6279 Remote Similarity NPC469666
0.6277 Remote Similarity NPC471680
0.6273 Remote Similarity NPC471320
0.6273 Remote Similarity NPC471319
0.6262 Remote Similarity NPC476160
0.6262 Remote Similarity NPC78154
0.6262 Remote Similarity NPC258627
0.626 Remote Similarity NPC228515
0.626 Remote Similarity NPC264580
0.625 Remote Similarity NPC476249
0.625 Remote Similarity NPC186284
0.625 Remote Similarity NPC125144
0.625 Remote Similarity NPC187036
0.625 Remote Similarity NPC22082
0.625 Remote Similarity NPC12730
0.625 Remote Similarity NPC121708
0.6239 Remote Similarity NPC322040
0.6239 Remote Similarity NPC471309
0.6228 Remote Similarity NPC164859
0.6222 Remote Similarity NPC65408
0.622 Remote Similarity NPC22746
0.622 Remote Similarity NPC222466
0.6214 Remote Similarity NPC119677
0.6207 Remote Similarity NPC274089
0.6207 Remote Similarity NPC191215
0.6207 Remote Similarity NPC327481
0.6202 Remote Similarity NPC478079
0.6202 Remote Similarity NPC319766
0.62 Remote Similarity NPC12857
0.6195 Remote Similarity NPC469457
0.6195 Remote Similarity NPC474582
0.6194 Remote Similarity NPC471265
0.6194 Remote Similarity NPC471264
0.619 Remote Similarity NPC258046
0.6182 Remote Similarity NPC58674
0.6179 Remote Similarity NPC192209
0.6176 Remote Similarity NPC130251
0.6176 Remote Similarity NPC476989
0.6172 Remote Similarity NPC79698
0.616 Remote Similarity NPC302169
0.6148 Remote Similarity NPC89489
0.6148 Remote Similarity NPC77992
0.6148 Remote Similarity NPC98424
0.6148 Remote Similarity NPC178662
0.6148 Remote Similarity NPC470884
0.6148 Remote Similarity NPC92784
0.6148 Remote Similarity NPC122553
0.6148 Remote Similarity NPC288232
0.6148 Remote Similarity NPC476133
0.6143 Remote Similarity NPC324445
0.614 Remote Similarity NPC291610
0.6136 Remote Similarity NPC194857
0.6136 Remote Similarity NPC32858
0.6136 Remote Similarity NPC473962
0.6136 Remote Similarity NPC40364
0.6134 Remote Similarity NPC319579
0.6131 Remote Similarity NPC471164
0.6131 Remote Similarity NPC301760
0.6131 Remote Similarity NPC161069
0.6116 Remote Similarity NPC296163
0.6107 Remote Similarity NPC187231
0.6107 Remote Similarity NPC226662
0.6103 Remote Similarity NPC469560
0.61 Remote Similarity NPC325662
0.61 Remote Similarity NPC98269
0.61 Remote Similarity NPC290638
0.6087 Remote Similarity NPC202613
0.6087 Remote Similarity NPC471317
0.608 Remote Similarity NPC291962
0.608 Remote Similarity NPC177684
0.6077 Remote Similarity NPC476950
0.6074 Remote Similarity NPC325599
0.6074 Remote Similarity NPC471123
0.6074 Remote Similarity NPC267508
0.6071 Remote Similarity NPC33168
0.6061 Remote Similarity NPC276699
0.6058 Remote Similarity NPC269398
0.6058 Remote Similarity NPC207554
0.6058 Remote Similarity NPC263493
0.6053 Remote Similarity NPC228400
0.6053 Remote Similarity NPC214200
0.605 Remote Similarity NPC158854
0.6048 Remote Similarity NPC313449
0.6047 Remote Similarity NPC171372
0.6045 Remote Similarity NPC162417
0.6045 Remote Similarity NPC316104

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472258 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
0.7692 Intermediate Similarity NPD6588 Clinical (unspecified phase)
0.7523 Intermediate Similarity NPD4063 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD787 Suspended
0.7368 Intermediate Similarity NPD1344 Phase 2
0.7364 Intermediate Similarity NPD3581 Discontinued
0.732 Intermediate Similarity NPD5178 Approved
0.7297 Intermediate Similarity NPD2583 Phase 2
0.7238 Intermediate Similarity NPD466 Approved
0.7196 Intermediate Similarity NPD4803 Discontinued
0.717 Intermediate Similarity NPD742 Approved
0.7128 Intermediate Similarity NPD4144 Approved
0.7128 Intermediate Similarity NPD4147 Approved
0.7103 Intermediate Similarity NPD5630 Phase 1
0.7091 Intermediate Similarity NPD7130 Phase 3
0.6979 Remote Similarity NPD1051 Approved
0.6979 Remote Similarity NPD1053 Approved
0.6979 Remote Similarity NPD1052 Approved
0.6967 Remote Similarity NPD2031 Discontinued
0.6957 Remote Similarity NPD5179 Approved
0.6957 Remote Similarity NPD5180 Approved
0.6957 Remote Similarity NPD5181 Approved
0.6939 Remote Similarity NPD4169 Approved
0.6939 Remote Similarity NPD4701 Clinical (unspecified phase)
0.6939 Remote Similarity NPD4170 Approved
0.6937 Remote Similarity NPD1065 Approved
0.6937 Remote Similarity NPD1064 Approved
0.6916 Remote Similarity NPD1724 Approved
0.69 Remote Similarity NPD5916 Discontinued
0.6887 Remote Similarity NPD157 Clinical (unspecified phase)
0.687 Remote Similarity NPD480 Approved
0.6864 Remote Similarity NPD3806 Clinical (unspecified phase)
0.6847 Remote Similarity NPD1763 Approved
0.6847 Remote Similarity NPD1766 Approved
0.6847 Remote Similarity NPD1765 Approved
0.6847 Remote Similarity NPD1767 Approved
0.6847 Remote Similarity NPD1761 Approved
0.6847 Remote Similarity NPD999 Phase 2
0.6837 Remote Similarity NPD3035 Approved
0.6837 Remote Similarity NPD472 Approved
0.6837 Remote Similarity NPD4027 Approved
0.6837 Remote Similarity NPD4026 Approved
0.6832 Remote Similarity NPD5252 Clinical (unspecified phase)
0.6832 Remote Similarity NPD3099 Discontinued
0.6827 Remote Similarity NPD517 Discontinued
0.6814 Remote Similarity NPD477 Phase 1
0.681 Remote Similarity NPD3598 Phase 3
0.6807 Remote Similarity NPD6345 Approved
0.6807 Remote Similarity NPD6343 Approved
0.6803 Remote Similarity NPD2584 Suspended
0.68 Remote Similarity NPD2538 Approved
0.68 Remote Similarity NPD2539 Approved
0.6774 Remote Similarity NPD3029 Clinical (unspecified phase)
0.6771 Remote Similarity NPD603 Approved
0.6759 Remote Similarity NPD4117 Approved
0.6735 Remote Similarity NPD5372 Approved
0.6735 Remote Similarity NPD5371 Approved
0.6731 Remote Similarity NPD3344 Approved
0.6731 Remote Similarity NPD3346 Approved
0.6729 Remote Similarity NPD5964 Phase 2
0.6729 Remote Similarity NPD5963 Phase 2
0.6727 Remote Similarity NPD1419 Approved
0.6727 Remote Similarity NPD813 Approved
0.6727 Remote Similarity NPD2196 Discontinued
0.6727 Remote Similarity NPD5716 Approved
0.6727 Remote Similarity NPD1417 Approved
0.6727 Remote Similarity NPD708 Approved
0.6723 Remote Similarity NPD5990 Approved
0.6723 Remote Similarity NPD5991 Approved
0.672 Remote Similarity NPD5339 Clinical (unspecified phase)
0.6702 Remote Similarity NPD9728 Phase 1
0.6699 Remote Similarity NPD3345 Approved
0.6696 Remote Similarity NPD2192 Approved
0.6696 Remote Similarity NPD2197 Approved
0.6694 Remote Similarity NPD3064 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4655 Approved
0.6667 Remote Similarity NPD4657 Approved
0.6667 Remote Similarity NPD528 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1099 Approved
0.6667 Remote Similarity NPD1100 Approved
0.6667 Remote Similarity NPD4636 Approved
0.6667 Remote Similarity NPD2244 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5103 Approved
0.6667 Remote Similarity NPD5859 Discontinued
0.664 Remote Similarity NPD2585 Clinical (unspecified phase)
0.6639 Remote Similarity NPD5187 Clinical (unspecified phase)
0.6636 Remote Similarity NPD4094 Approved
0.6634 Remote Similarity NPD785 Approved
0.6614 Remote Similarity NPD6729 Phase 2
0.6612 Remote Similarity NPD1306 Clinical (unspecified phase)
0.661 Remote Similarity NPD3551 Approved
0.6604 Remote Similarity NPD1812 Approved
0.6604 Remote Similarity NPD1814 Approved
0.6589 Remote Similarity NPD941 Approved
0.6585 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6579 Remote Similarity NPD6038 Clinical (unspecified phase)
0.6577 Remote Similarity NPD6027 Approved
0.6577 Remote Similarity NPD4119 Approved
0.6577 Remote Similarity NPD6024 Approved
0.6574 Remote Similarity NPD2507 Clinical (unspecified phase)
0.6569 Remote Similarity NPD9505 Clinical (unspecified phase)
0.6569 Remote Similarity NPD2205 Approved
0.6569 Remote Similarity NPD2208 Approved
0.6555 Remote Similarity NPD2622 Approved
0.6549 Remote Similarity NPD959 Discontinued
0.6549 Remote Similarity NPD5717 Approved
0.6549 Remote Similarity NPD1677 Discontinued
0.6538 Remote Similarity NPD5675 Discontinued
0.6535 Remote Similarity NPD4635 Approved
0.6535 Remote Similarity NPD1800 Clinical (unspecified phase)
0.6535 Remote Similarity NPD830 Approved
0.6535 Remote Similarity NPD831 Approved
0.6532 Remote Similarity NPD6408 Phase 1
0.6531 Remote Similarity NPD295 Approved
0.6531 Remote Similarity NPD296 Approved
0.6531 Remote Similarity NPD293 Approved
0.6529 Remote Similarity NPD998 Approved
0.6525 Remote Similarity NPD5063 Approved
0.6525 Remote Similarity NPD5064 Approved
0.6525 Remote Similarity NPD23 Approved
0.6522 Remote Similarity NPD2678 Approved
0.6522 Remote Similarity NPD2679 Approved
0.6519 Remote Similarity NPD5526 Phase 2
0.6519 Remote Similarity NPD5527 Clinical (unspecified phase)
0.6518 Remote Similarity NPD3682 Approved
0.6518 Remote Similarity NPD3357 Discontinued
0.6518 Remote Similarity NPD3680 Approved
0.6509 Remote Similarity NPD2998 Approved
0.6509 Remote Similarity NPD3000 Approved
0.6509 Remote Similarity NPD2997 Approved
0.6508 Remote Similarity NPD2840 Approved
0.6505 Remote Similarity NPD4409 Approved
0.6505 Remote Similarity NPD4406 Approved
0.65 Remote Similarity NPD7679 Phase 2
0.6496 Remote Similarity NPD753 Approved
0.6484 Remote Similarity NPD4125 Approved
0.6481 Remote Similarity NPD1081 Clinical (unspecified phase)
0.6476 Remote Similarity NPD5656 Clinical (unspecified phase)
0.6475 Remote Similarity NPD1217 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2543 Discontinued
0.6471 Remote Similarity NPD2508 Discontinued
0.6471 Remote Similarity NPD5631 Phase 3
0.6465 Remote Similarity NPD590 Approved
0.6465 Remote Similarity NPD507 Approved
0.6465 Remote Similarity NPD508 Approved
0.6465 Remote Similarity NPD589 Approved
0.6457 Remote Similarity NPD3604 Clinical (unspecified phase)
0.6452 Remote Similarity NPD4775 Clinical (unspecified phase)
0.6452 Remote Similarity NPD4761 Approved
0.6452 Remote Similarity NPD4762 Approved
0.6449 Remote Similarity NPD6690 Approved
0.6446 Remote Similarity NPD2109 Clinical (unspecified phase)
0.6446 Remote Similarity NPD2108 Phase 2
0.6442 Remote Similarity NPD4145 Approved
0.6442 Remote Similarity NPD4146 Approved
0.6441 Remote Similarity NPD1764 Approved
0.6441 Remote Similarity NPD4165 Phase 2
0.6441 Remote Similarity NPD3066 Phase 2
0.6441 Remote Similarity NPD1762 Approved
0.6435 Remote Similarity NPD2243 Clinical (unspecified phase)
0.6429 Remote Similarity NPD2648 Phase 3
0.6429 Remote Similarity NPD2171 Approved
0.6429 Remote Similarity NPD2961 Approved
0.6429 Remote Similarity NPD2193 Phase 2
0.6429 Remote Similarity NPD2962 Approved
0.6429 Remote Similarity NPD6792 Phase 3
0.6422 Remote Similarity NPD2895 Discontinued
0.6417 Remote Similarity NPD1323 Discontinued
0.6412 Remote Similarity NPD5272 Discontinued
0.6404 Remote Similarity NPD1576 Approved
0.64 Remote Similarity NPD3904 Approved
0.64 Remote Similarity NPD3981 Approved
0.64 Remote Similarity NPD3903 Approved
0.64 Remote Similarity NPD3072 Approved
0.64 Remote Similarity NPD3979 Approved
0.64 Remote Similarity NPD3071 Approved
0.64 Remote Similarity NPD478 Approved
0.64 Remote Similarity NPD5335 Discontinued
0.64 Remote Similarity NPD3073 Approved
0.6389 Remote Similarity NPD720 Approved
0.6389 Remote Similarity NPD197 Approved
0.6389 Remote Similarity NPD199 Approved
0.6389 Remote Similarity NPD6549 Approved
0.6389 Remote Similarity NPD6548 Approved
0.6389 Remote Similarity NPD719 Approved
0.6389 Remote Similarity NPD1080 Approved
0.6387 Remote Similarity NPD3147 Approved
0.6387 Remote Similarity NPD3148 Approved
0.6387 Remote Similarity NPD3149 Approved
0.6387 Remote Similarity NPD3150 Approved
0.6387 Remote Similarity NPD2659 Approved
0.6387 Remote Similarity NPD2658 Approved
0.6385 Remote Similarity NPD3632 Clinical (unspecified phase)
0.6379 Remote Similarity NPD1721 Clinical (unspecified phase)
0.6372 Remote Similarity NPD5655 Clinical (unspecified phase)
0.6364 Remote Similarity NPD8643 Discontinued
0.6364 Remote Similarity NPD3123 Discovery
0.6357 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6356 Remote Similarity NPD2124 Approved
0.6355 Remote Similarity NPD4543 Discontinued
0.6328 Remote Similarity NPD3588 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3355650
ZINC  

Physicochemical Properties

Molecular Weight:  240.13
ALogP:  -0.2371
MLogP:  2.78
XLogP:  3.665
# Rotatable Bonds:  3
Polar Surface Area:  32.67
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  18

Download Data

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