Natural Product: NPC74382

Natural Product ID:  NPC74382
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C13H13N3O2S
Standard InCHIKey:  NQGMIPUYCWIEAW-NVNXTCNLSA-N
Standard InCHI:  InChI=1S/C13H13N3O2S/c1-18-12-7-10(9-5-3-4-6-14-9)16-11(8-15-17)13(12)19-2/h3-8,17H,1-2H3/b15-8-
Canonical SMILES:  O/N=Cc1nc(cc(c1SC)OC)c1ccccn1
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
NPO30376 Streptomyces sp. Species Streptomycetaceae Bacteria PMID[21873059]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens Inhibition = 45.58 % PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens Inhibition = 30.73 % 24195466
NPT196 Cell Line AGS Homo sapiens Inhibition = 32.53 % 24195466
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 107000 nM 26331334
NPT83 Cell Line MCF7 Homo sapiens Inhibition = 20.82 % 19445515

  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 NPC74382 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
1.0 High Similarity NPC206251
0.9474 High Similarity NPC224327
0.9277 High Similarity NPC14651
0.9277 High Similarity NPC121658
0.9217 High Similarity NPC476518
0.8902 High Similarity NPC266551
0.887 High Similarity NPC134079
0.8772 High Similarity NPC111624
0.875 High Similarity NPC20249
0.8686 High Similarity NPC219963
0.8686 High Similarity NPC161887
0.8629 High Similarity NPC168486
0.8629 High Similarity NPC222592
0.8471 Intermediate Similarity NPC48192
0.8412 Intermediate Similarity NPC25899
0.8216 Intermediate Similarity NPC226202
0.7989 Intermediate Similarity NPC267928
0.7943 Intermediate Similarity NPC177404
0.759 Intermediate Similarity NPC19872
0.7486 Intermediate Similarity NPC285635
0.7462 Intermediate Similarity NPC232727
0.7461 Intermediate Similarity NPC84853
0.7413 Intermediate Similarity NPC287208
0.7411 Intermediate Similarity NPC176538
0.7411 Intermediate Similarity NPC315957
0.7376 Intermediate Similarity NPC174672
0.736 Intermediate Similarity NPC187558
0.734 Intermediate Similarity NPC167860
0.734 Intermediate Similarity NPC123976
0.7323 Intermediate Similarity NPC121772
0.7308 Intermediate Similarity NPC193267
0.7308 Intermediate Similarity NPC213530
0.7303 Intermediate Similarity NPC26872
0.7297 Intermediate Similarity NPC258773
0.7291 Intermediate Similarity NPC174758
0.7246 Intermediate Similarity NPC274982
0.7241 Intermediate Similarity NPC82548
0.7228 Intermediate Similarity NPC323345
0.7228 Intermediate Similarity NPC470164
0.7214 Intermediate Similarity NPC245816
0.7214 Intermediate Similarity NPC476138
0.7206 Intermediate Similarity NPC185782
0.7189 Intermediate Similarity NPC1527
0.7186 Intermediate Similarity NPC287437
0.7182 Intermediate Similarity NPC26850
0.7101 Intermediate Similarity NPC26679
0.7094 Intermediate Similarity NPC36229
0.7094 Intermediate Similarity NPC329708
0.7094 Intermediate Similarity NPC476581
0.7094 Intermediate Similarity NPC16452
0.7094 Intermediate Similarity NPC165349
0.7094 Intermediate Similarity NPC118832
0.7094 Intermediate Similarity NPC47059
0.7094 Intermediate Similarity NPC274291
0.7094 Intermediate Similarity NPC264166
0.7081 Intermediate Similarity NPC8022
0.7081 Intermediate Similarity NPC470799
0.7075 Intermediate Similarity NPC310118
0.7075 Intermediate Similarity NPC60621
0.702 Intermediate Similarity NPC307963
0.7015 Intermediate Similarity NPC476578
0.7015 Intermediate Similarity NPC476582
0.7015 Intermediate Similarity NPC4071
0.699 Remote Similarity NPC296527
0.697 Remote Similarity NPC195268
0.697 Remote Similarity NPC133140
0.6959 Remote Similarity NPC314954
0.6959 Remote Similarity NPC284559
0.6954 Remote Similarity NPC76748
0.695 Remote Similarity NPC13880
0.6946 Remote Similarity NPC31930
0.6943 Remote Similarity NPC118776
0.6938 Remote Similarity NPC112206
0.6938 Remote Similarity NPC202605
0.6935 Remote Similarity NPC198673
0.6927 Remote Similarity NPC285558
0.6919 Remote Similarity NPC92111
0.6912 Remote Similarity NPC110151
0.6905 Remote Similarity NPC476287
0.6898 Remote Similarity NPC471178
0.6882 Remote Similarity NPC471177
0.6882 Remote Similarity NPC59779
0.6882 Remote Similarity NPC124542
0.6881 Remote Similarity NPC239954
0.6872 Remote Similarity NPC284678
0.6866 Remote Similarity NPC153467
0.6866 Remote Similarity NPC251090
0.6864 Remote Similarity NPC469554
0.6864 Remote Similarity NPC101543
0.6857 Remote Similarity NPC296482
0.6857 Remote Similarity NPC53069
0.6857 Remote Similarity NPC202768
0.6856 Remote Similarity NPC470474
0.6852 Remote Similarity NPC122436
0.6845 Remote Similarity NPC118511
0.6833 Remote Similarity NPC141053
0.6833 Remote Similarity NPC220523
0.6832 Remote Similarity NPC224928
0.6831 Remote Similarity NPC36168
0.6818 Remote Similarity NPC110741
0.6814 Remote Similarity NPC234197
0.6812 Remote Similarity NPC472111
0.6802 Remote Similarity NPC24802
0.68 Remote Similarity NPC324149
0.6798 Remote Similarity NPC168911
0.6796 Remote Similarity NPC475774
0.6796 Remote Similarity NPC200836
0.6794 Remote Similarity NPC469589
0.6788 Remote Similarity NPC283152
0.6779 Remote Similarity NPC193238
0.6779 Remote Similarity NPC313189
0.6777 Remote Similarity NPC96405
0.6777 Remote Similarity NPC171409
0.6762 Remote Similarity NPC290689
0.674 Remote Similarity NPC316756
0.6736 Remote Similarity NPC288943
0.6732 Remote Similarity NPC477019
0.6715 Remote Similarity NPC53144
0.6702 Remote Similarity NPC314940
0.6702 Remote Similarity NPC473764
0.6701 Remote Similarity NPC62069
0.6699 Remote Similarity NPC135549
0.6696 Remote Similarity NPC295228
0.6684 Remote Similarity NPC312872
0.6683 Remote Similarity NPC470500
0.6683 Remote Similarity NPC18487
0.6683 Remote Similarity NPC476167
0.6683 Remote Similarity NPC289786
0.6683 Remote Similarity NPC66083
0.6682 Remote Similarity NPC85273
0.6667 Remote Similarity NPC162530
0.6667 Remote Similarity NPC473057
0.6667 Remote Similarity NPC211813
0.6667 Remote Similarity NPC260434
0.6667 Remote Similarity NPC42591
0.6667 Remote Similarity NPC97367
0.6667 Remote Similarity NPC292958
0.6667 Remote Similarity NPC17565
0.6651 Remote Similarity NPC208284
0.6635 Remote Similarity NPC223427
0.6634 Remote Similarity NPC192315
0.6634 Remote Similarity NPC212213
0.663 Remote Similarity NPC471323
0.6621 Remote Similarity NPC322482
0.662 Remote Similarity NPC173080
0.662 Remote Similarity NPC197141
0.6616 Remote Similarity NPC84478
0.6614 Remote Similarity NPC79911
0.6605 Remote Similarity NPC170114
0.6604 Remote Similarity NPC5145
0.6603 Remote Similarity NPC475070
0.6601 Remote Similarity NPC329541
0.6589 Remote Similarity NPC469592
0.6589 Remote Similarity NPC471080
0.6582 Remote Similarity NPC42979
0.658 Remote Similarity NPC252590
0.6575 Remote Similarity NPC470404
0.6575 Remote Similarity NPC470394
0.6575 Remote Similarity NPC470403
0.6575 Remote Similarity NPC216612
0.6574 Remote Similarity NPC473513
0.6566 Remote Similarity NPC48938
0.6566 Remote Similarity NPC176127
0.6564 Remote Similarity NPC224764
0.6561 Remote Similarity NPC120798
0.6558 Remote Similarity NPC470549
0.655 Remote Similarity NPC204385
0.6545 Remote Similarity NPC65277
0.6542 Remote Similarity NPC316981
0.6542 Remote Similarity NPC264176
0.6542 Remote Similarity NPC472098
0.6537 Remote Similarity NPC194967
0.6526 Remote Similarity NPC470020
0.6526 Remote Similarity NPC11464
0.652 Remote Similarity NPC235685
0.6517 Remote Similarity NPC46580
0.6517 Remote Similarity NPC328029
0.6516 Remote Similarity NPC245348
0.6513 Remote Similarity NPC95898
0.6512 Remote Similarity NPC151489
0.6512 Remote Similarity NPC266931
0.6509 Remote Similarity NPC475910
0.6508 Remote Similarity NPC84508
0.6507 Remote Similarity NPC99891
0.6507 Remote Similarity NPC295898
0.6503 Remote Similarity NPC470395
0.65 Remote Similarity NPC314002
0.6497 Remote Similarity NPC472168
0.6494 Remote Similarity NPC472434
0.6493 Remote Similarity NPC476121
0.6493 Remote Similarity NPC476124
0.6492 Remote Similarity NPC263439
0.6491 Remote Similarity NPC101350
0.649 Remote Similarity NPC329793
0.6486 Remote Similarity NPC60006
0.6485 Remote Similarity NPC472289
0.648 Remote Similarity NPC203754
0.648 Remote Similarity NPC150048
0.6478 Remote Similarity NPC39092
0.6477 Remote Similarity NPC174421

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC74382 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
0.7696 Intermediate Similarity NPD3395 Approved
0.7696 Intermediate Similarity NPD3396 Approved
0.7617 Intermediate Similarity NPD2959 Phase 3
0.7473 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD5259 Phase 3
0.7411 Intermediate Similarity NPD1739 Approved
0.7411 Intermediate Similarity NPD1740 Approved
0.7347 Intermediate Similarity NPD1622 Discontinued
0.733 Intermediate Similarity NPD3039 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD4372 Phase 1
0.7273 Intermediate Similarity NPD2958 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD4795 Phase 2
0.7235 Intermediate Similarity NPD1259 Discontinued
0.7231 Intermediate Similarity NPD6569 Phase 2
0.7216 Intermediate Similarity NPD4081 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD3477 Phase 2
0.7202 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD1034 Phase 3
0.7179 Intermediate Similarity NPD2334 Discontinued
0.7175 Intermediate Similarity NPD6450 Phase 2
0.7172 Intermediate Similarity NPD4899 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD1602 Discontinued
0.713 Intermediate Similarity NPD2062 Phase 2
0.712 Intermediate Similarity NPD3386 Phase 2
0.7101 Intermediate Similarity NPD2848 Discontinued
0.7094 Intermediate Similarity NPD31 Approved
0.7094 Intermediate Similarity NPD4037 Approved
0.7094 Intermediate Similarity NPD4038 Approved
0.7094 Intermediate Similarity NPD4033 Approved
0.7094 Intermediate Similarity NPD32 Approved
0.7094 Intermediate Similarity NPD4036 Approved
0.7094 Intermediate Similarity NPD4035 Approved
0.7094 Intermediate Similarity NPD4034 Approved
0.7094 Intermediate Similarity NPD4122 Approved
0.7094 Intermediate Similarity NPD4039 Approved
0.7073 Intermediate Similarity NPD2816 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD4375 Approved
0.7059 Intermediate Similarity NPD5319 Approved
0.7059 Intermediate Similarity NPD565 Phase 2
0.7059 Intermediate Similarity NPD5320 Approved
0.7056 Intermediate Similarity NPD6246 Approved
0.7056 Intermediate Similarity NPD1258 Discontinued
0.7031 Intermediate Similarity NPD4204 Approved
0.7031 Intermediate Similarity NPD4203 Approved
0.7031 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD1038 Approved
0.7016 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD3397 Phase 2
0.701 Intermediate Similarity NPD4889 Approved
0.6986 Remote Similarity NPD2471 Approved
0.6986 Remote Similarity NPD2472 Approved
0.6982 Remote Similarity NPD1095 Clinical (unspecified phase)
0.697 Remote Similarity NPD3924 Approved
0.697 Remote Similarity NPD3923 Approved
0.697 Remote Similarity NPD3921 Approved
0.697 Remote Similarity NPD3922 Approved
0.6967 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6963 Remote Similarity NPD1856 Discontinued
0.6961 Remote Similarity NPD9596 Approved
0.6961 Remote Similarity NPD9595 Approved
0.6957 Remote Similarity NPD604 Clinical (unspecified phase)
0.6952 Remote Similarity NPD425 Approved
0.6952 Remote Similarity NPD424 Approved
0.6947 Remote Similarity NPD1923 Clinical (unspecified phase)
0.6935 Remote Similarity NPD1304 Clinical (unspecified phase)
0.6934 Remote Similarity NPD2441 Approved
0.6934 Remote Similarity NPD2440 Phase 3
0.6915 Remote Similarity NPD2952 Discontinued
0.6915 Remote Similarity NPD6769 Clinical (unspecified phase)
0.6891 Remote Similarity NPD2601 Approved
0.6891 Remote Similarity NPD2600 Approved
0.6891 Remote Similarity NPD2599 Approved
0.6887 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4071 Approved
0.6875 Remote Similarity NPD4072 Approved
0.6872 Remote Similarity NPD6276 Discontinued
0.686 Remote Similarity NPD2886 Approved
0.686 Remote Similarity NPD2885 Approved
0.6859 Remote Similarity NPD158 Discontinued
0.6857 Remote Similarity NPD3815 Phase 1
0.6857 Remote Similarity NPD3816 Phase 1
0.6828 Remote Similarity NPD9705 Discontinued
0.6828 Remote Similarity NPD112 Approved
0.6825 Remote Similarity NPD2781 Approved
0.682 Remote Similarity NPD2954 Approved
0.682 Remote Similarity NPD2955 Approved
0.6818 Remote Similarity NPD1504 Discontinued
0.6814 Remote Similarity NPD6389 Clinical (unspecified phase)
0.6814 Remote Similarity NPD5228 Phase 3
0.6812 Remote Similarity NPD5530 Phase 1
0.6812 Remote Similarity NPD5998 Clinical (unspecified phase)
0.6811 Remote Similarity NPD9574 Clinical (unspecified phase)
0.6811 Remote Similarity NPD2581 Approved
0.6811 Remote Similarity NPD2582 Approved
0.6809 Remote Similarity NPD2780 Approved
0.6809 Remote Similarity NPD926 Approved
0.6809 Remote Similarity NPD925 Approved
0.6809 Remote Similarity NPD2782 Approved
0.6802 Remote Similarity NPD715 Phase 3
0.6796 Remote Similarity NPD1661 Suspended
0.6789 Remote Similarity NPD1603 Discontinued
0.6788 Remote Similarity NPD1032 Phase 2
0.6779 Remote Similarity NPD1392 Approved
0.6776 Remote Similarity NPD703 Discontinued
0.6768 Remote Similarity NPD6393 Clinical (unspecified phase)
0.6766 Remote Similarity NPD4551 Phase 2
0.6765 Remote Similarity NPD4548 Discontinued
0.6765 Remote Similarity NPD5999 Phase 2
0.6762 Remote Similarity NPD2926 Approved
0.6758 Remote Similarity NPD1910 Approved
0.6758 Remote Similarity NPD1911 Approved
0.6757 Remote Similarity NPD4850 Phase 1
0.6754 Remote Similarity NPD754 Clinical (unspecified phase)
0.6754 Remote Similarity NPD8100 Phase 3
0.6754 Remote Similarity NPD1078 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6131 Phase 1
0.674 Remote Similarity NPD1941 Approved
0.6739 Remote Similarity NPD8101 Phase 3
0.6734 Remote Similarity NPD4021 Phase 2
0.6733 Remote Similarity NPD6861 Clinical (unspecified phase)
0.6731 Remote Similarity NPD5601 Phase 2
0.673 Remote Similarity NPD3570 Phase 2
0.673 Remote Similarity NPD4131 Phase 3
0.6727 Remote Similarity NPD6508 Approved
0.6717 Remote Similarity NPD9542 Approved
0.6715 Remote Similarity NPD5144 Discontinued
0.6712 Remote Similarity NPD1907 Phase 3
0.6701 Remote Similarity NPD5751 Clinical (unspecified phase)
0.67 Remote Similarity NPD1704 Clinical (unspecified phase)
0.6699 Remote Similarity NPD1621 Discontinued
0.6698 Remote Similarity NPD7069 Discontinued
0.6698 Remote Similarity NPD3354 Phase 2
0.6684 Remote Similarity NPD5255 Approved
0.6683 Remote Similarity NPD6257 Clinical (unspecified phase)
0.6683 Remote Similarity NPD2749 Discontinued
0.6683 Remote Similarity NPD5628 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6262 Clinical (unspecified phase)
0.6682 Remote Similarity NPD4881 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6682 Remote Similarity NPD1906 Approved
0.6681 Remote Similarity NPD1927 Discontinued
0.6667 Remote Similarity NPD6500 Approved
0.6667 Remote Similarity NPD2314 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5863 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2772 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2123 Phase 3
0.6667 Remote Similarity NPD6501 Approved
0.6667 Remote Similarity NPD6477 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6988 Phase 1
0.6652 Remote Similarity NPD2757 Phase 2
0.6651 Remote Similarity NPD1744 Approved
0.665 Remote Similarity NPD1951 Clinical (unspecified phase)
0.6649 Remote Similarity NPD687 Clinical (unspecified phase)
0.6648 Remote Similarity NPD1649 Discontinued
0.6637 Remote Similarity NPD2414 Clinical (unspecified phase)
0.6636 Remote Similarity NPD7426 Phase 1
0.6636 Remote Similarity NPD8479 Phase 2
0.6636 Remote Similarity NPD6856 Discontinued
0.6636 Remote Similarity NPD7674 Phase 3
0.6636 Remote Similarity NPD7675 Phase 3
0.6636 Remote Similarity NPD6140 Clinical (unspecified phase)
0.6636 Remote Similarity NPD7676 Clinical (unspecified phase)
0.6635 Remote Similarity NPD6324 Phase 1
0.6635 Remote Similarity NPD5513 Phase 2
0.6635 Remote Similarity NPD4044 Discontinued
0.6634 Remote Similarity NPD1789 Approved
0.6634 Remote Similarity NPD1788 Approved
0.6622 Remote Similarity NPD8052 Clinical (unspecified phase)
0.6621 Remote Similarity NPD6306 Phase 2
0.6616 Remote Similarity NPD3569 Discontinued
0.6616 Remote Similarity NPD1334 Clinical (unspecified phase)
0.6602 Remote Similarity NPD3825 Phase 3
0.6594 Remote Similarity NPD5534 Clinical (unspecified phase)
0.6588 Remote Similarity NPD6366 Clinical (unspecified phase)
0.6588 Remote Similarity NPD5528 Clinical (unspecified phase)
0.6588 Remote Similarity NPD5529 Phase 1
0.6588 Remote Similarity NPD2739 Clinical (unspecified phase)
0.6584 Remote Similarity NPD4148 Approved
0.6582 Remote Similarity NPD5867 Clinical (unspecified phase)
0.6578 Remote Similarity NPD3074 Discontinued
0.6577 Remote Similarity NPD6759 Phase 2
0.6573 Remote Similarity NPD5066 Phase 2
0.6573 Remote Similarity NPD7468 Clinical (unspecified phase)
0.6573 Remote Similarity NPD5067 Phase 2
0.6573 Remote Similarity NPD2540 Clinical (unspecified phase)
0.6569 Remote Similarity NPD6590 Discontinued
0.6568 Remote Similarity NPD6207 Discovery
0.6561 Remote Similarity NPD1418 Phase 2
0.6552 Remote Similarity NPD4369 Phase 2
0.6552 Remote Similarity NPD6172 Clinical (unspecified phase)
0.655 Remote Similarity NPD7757 Approved
0.655 Remote Similarity NPD7758 Approved
0.6549 Remote Similarity NPD24 Approved
0.6547 Remote Similarity NPD5842 Clinical (unspecified phase)
0.6544 Remote Similarity NPD6568 Discontinued
0.6535 Remote Similarity NPD8063 Discontinued
0.6535 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6533 Remote Similarity NPD26 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1834106
ZINC  

Physicochemical Properties

Molecular Weight:  275.07
ALogP:  0.4906
MLogP:  2.23
XLogP:  2.943
# Rotatable Bonds:  7
Polar Surface Area:  92.9
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  19

Download Data

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