Natural Product: NPC477891

Natural Product ID:  NPC477891
Common Name:   2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-quinazolin-4-one
IUPAC Name:   2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-quinazolin-4-one
Synonyms:  
Molecular Formula:   C17H11N3O2
Standard InCHIKey:  BEEAKOAOZGADSP-XFXZXTDPSA-N
Standard InCHI:  InChI=1S/C17H11N3O2/c21-16-11-6-2-4-8-14(11)18-15(20-16)9-12-10-5-1-3-7-13(10)19-17(12)22/h1-9H,(H,19,22)(H,18,20,21)/b12-9-
Canonical SMILES:  OC1=Nc2c(/C/1=C/c1nc(O)c3c(n1)cccc3)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
NPO6453 Schizophyllum commune Species Schizophyllaceae Eukaryota PMID[24262004]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 100000 nM 24262004
NPT165 Cell Line HeLa Homo sapiens IC50 = 15200 nM 24262004

  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 NPC477891 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
0.9627 High Similarity NPC208060
0.9398 High Similarity NPC144114
0.9321 High Similarity NPC278874
0.9207 High Similarity NPC105758
0.9207 High Similarity NPC476688
0.9207 High Similarity NPC476686
0.9193 High Similarity NPC224632
0.8802 High Similarity NPC164664
0.8531 High Similarity NPC230805
0.8371 Intermediate Similarity NPC254762
0.8122 Intermediate Similarity NPC472289
0.7818 Intermediate Similarity NPC60553
0.7685 Intermediate Similarity NPC130570
0.7429 Intermediate Similarity NPC477889
0.7402 Intermediate Similarity NPC48317
0.7386 Intermediate Similarity NPC26850
0.7363 Intermediate Similarity NPC471603
0.7341 Intermediate Similarity NPC288445
0.734 Intermediate Similarity NPC62995
0.7293 Intermediate Similarity NPC44161
0.7283 Intermediate Similarity NPC288943
0.7268 Intermediate Similarity NPC474409
0.7243 Intermediate Similarity NPC283152
0.7222 Intermediate Similarity NPC97367
0.7127 Intermediate Similarity NPC159319
0.7126 Intermediate Similarity NPC161292
0.7119 Intermediate Similarity NPC26872
0.7074 Intermediate Similarity NPC478032
0.7072 Intermediate Similarity NPC315214
0.7072 Intermediate Similarity NPC47298
0.7068 Intermediate Similarity NPC314573
0.7065 Intermediate Similarity NPC126481
0.7043 Intermediate Similarity NPC303225
0.7033 Intermediate Similarity NPC32028
0.7031 Intermediate Similarity NPC66083
0.7028 Intermediate Similarity NPC2497
0.7028 Intermediate Similarity NPC132631
0.7028 Intermediate Similarity NPC103687
0.6989 Remote Similarity NPC471294
0.6978 Remote Similarity NPC177404
0.6977 Remote Similarity NPC280853
0.6973 Remote Similarity NPC477888
0.6966 Remote Similarity NPC153769
0.6964 Remote Similarity NPC472066
0.6964 Remote Similarity NPC472031
0.6964 Remote Similarity NPC472067
0.6963 Remote Similarity NPC190007
0.6963 Remote Similarity NPC62069
0.6961 Remote Similarity NPC84508
0.6954 Remote Similarity NPC472193
0.6946 Remote Similarity NPC243850
0.6936 Remote Similarity NPC285016
0.6936 Remote Similarity NPC245657
0.6931 Remote Similarity NPC72980
0.6931 Remote Similarity NPC88363
0.6927 Remote Similarity NPC42591
0.6927 Remote Similarity NPC36168
0.6927 Remote Similarity NPC94943
0.6919 Remote Similarity NPC474188
0.6919 Remote Similarity NPC77555
0.6919 Remote Similarity NPC471596
0.6911 Remote Similarity NPC212535
0.6902 Remote Similarity NPC471178
0.6898 Remote Similarity NPC259545
0.6888 Remote Similarity NPC324149
0.6885 Remote Similarity NPC124542
0.6885 Remote Similarity NPC59779
0.6885 Remote Similarity NPC471177
0.6882 Remote Similarity NPC473764
0.6882 Remote Similarity NPC314940
0.6869 Remote Similarity NPC242209
0.6862 Remote Similarity NPC312872
0.6853 Remote Similarity NPC329541
0.6825 Remote Similarity NPC250178
0.6824 Remote Similarity NPC184437
0.6818 Remote Similarity NPC471598
0.6812 Remote Similarity NPC242923
0.6804 Remote Similarity NPC204385
0.6804 Remote Similarity NPC194040
0.6802 Remote Similarity NPC99666
0.68 Remote Similarity NPC472068
0.6798 Remote Similarity NPC114209
0.6771 Remote Similarity NPC206201
0.6769 Remote Similarity NPC46580
0.6761 Remote Similarity NPC477890
0.6758 Remote Similarity NPC141353
0.6757 Remote Similarity NPC476118
0.6755 Remote Similarity NPC252590
0.6754 Remote Similarity NPC232340
0.675 Remote Similarity NPC208751
0.675 Remote Similarity NPC153042
0.6748 Remote Similarity NPC477111
0.6739 Remote Similarity NPC25899
0.6739 Remote Similarity NPC131718
0.6736 Remote Similarity NPC243058
0.6735 Remote Similarity NPC128751
0.6735 Remote Similarity NPC246700
0.6734 Remote Similarity NPC280638
0.6733 Remote Similarity NPC249040
0.6732 Remote Similarity NPC477113
0.6729 Remote Similarity NPC220851
0.6724 Remote Similarity NPC471594
0.6716 Remote Similarity NPC223427
0.6716 Remote Similarity NPC200836
0.6703 Remote Similarity NPC79911
0.6703 Remote Similarity NPC48192
0.6702 Remote Similarity NPC219848
0.6701 Remote Similarity NPC469497
0.6701 Remote Similarity NPC106833
0.6697 Remote Similarity NPC116622
0.6696 Remote Similarity NPC171393
0.6696 Remote Similarity NPC295452
0.6687 Remote Similarity NPC54102
0.6687 Remote Similarity NPC162689
0.6684 Remote Similarity NPC314394
0.6683 Remote Similarity NPC470500
0.6683 Remote Similarity NPC475070
0.6667 Remote Similarity NPC158129
0.6667 Remote Similarity NPC470404
0.6667 Remote Similarity NPC243834
0.6667 Remote Similarity NPC470394
0.6667 Remote Similarity NPC470403
0.6667 Remote Similarity NPC256268
0.6667 Remote Similarity NPC282247
0.6667 Remote Similarity NPC314002
0.6667 Remote Similarity NPC118511
0.6667 Remote Similarity NPC70956
0.665 Remote Similarity NPC183805
0.6649 Remote Similarity NPC120798
0.6649 Remote Similarity NPC133306
0.6649 Remote Similarity NPC220765
0.6649 Remote Similarity NPC203754
0.6649 Remote Similarity NPC322644
0.6649 Remote Similarity NPC150048
0.6638 Remote Similarity NPC63109
0.6635 Remote Similarity NPC237740
0.6634 Remote Similarity NPC53144
0.6633 Remote Similarity NPC90415
0.6623 Remote Similarity NPC9729
0.6622 Remote Similarity NPC39092
0.6619 Remote Similarity NPC294620
0.6616 Remote Similarity NPC144381
0.6615 Remote Similarity NPC184964
0.6615 Remote Similarity NPC96890
0.6615 Remote Similarity NPC204717
0.6615 Remote Similarity NPC203635
0.6604 Remote Similarity NPC477110
0.6603 Remote Similarity NPC5145
0.66 Remote Similarity NPC79293
0.66 Remote Similarity NPC279401
0.6594 Remote Similarity NPC51854
0.6592 Remote Similarity NPC470395
0.6587 Remote Similarity NPC470931
0.6587 Remote Similarity NPC18348
0.6585 Remote Similarity NPC475085
0.6585 Remote Similarity NPC291535
0.6585 Remote Similarity NPC211813
0.6585 Remote Similarity NPC475112
0.6578 Remote Similarity NPC473057
0.6578 Remote Similarity NPC102423
0.6567 Remote Similarity NPC276517
0.6562 Remote Similarity NPC30540
0.655 Remote Similarity NPC114335
0.655 Remote Similarity NPC280964
0.655 Remote Similarity NPC141915
0.6548 Remote Similarity NPC122718
0.6548 Remote Similarity NPC171171
0.6546 Remote Similarity NPC222592
0.6546 Remote Similarity NPC168486
0.6531 Remote Similarity NPC320394
0.6531 Remote Similarity NPC472294
0.653 Remote Similarity NPC187145
0.652 Remote Similarity NPC18487
0.6519 Remote Similarity NPC257142
0.6517 Remote Similarity NPC45850
0.6516 Remote Similarity NPC160666
0.6512 Remote Similarity NPC193267
0.6512 Remote Similarity NPC213530
0.651 Remote Similarity NPC317054
0.6505 Remote Similarity NPC470678
0.6505 Remote Similarity NPC199277
0.6505 Remote Similarity NPC135887
0.6497 Remote Similarity NPC476319
0.649 Remote Similarity NPC475841
0.649 Remote Similarity NPC474145
0.649 Remote Similarity NPC304183
0.648 Remote Similarity NPC48938
0.6477 Remote Similarity NPC134586
0.6476 Remote Similarity NPC476116
0.6476 Remote Similarity NPC469589
0.6474 Remote Similarity NPC317430
0.6471 Remote Similarity NPC306376
0.6471 Remote Similarity NPC192315
0.6463 Remote Similarity NPC148140
0.6462 Remote Similarity NPC249662
0.6459 Remote Similarity NPC193777
0.6449 Remote Similarity NPC469928
0.6449 Remote Similarity NPC183407
0.6449 Remote Similarity NPC330009
0.6445 Remote Similarity NPC309845

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477891 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
0.8531 High Similarity NPD9714 Clinical (unspecified phase)
0.8343 Intermediate Similarity NPD444 Approved
0.8108 Intermediate Similarity NPD3261 Phase 1
0.8077 Intermediate Similarity NPD2410 Phase 2
0.8054 Intermediate Similarity NPD6594 Discontinued
0.7968 Intermediate Similarity NPD7419 Discontinued
0.7955 Intermediate Similarity NPD3224 Phase 2
0.7734 Intermediate Similarity NPD4401 Phase 2
0.7734 Intermediate Similarity NPD4403 Phase 3
0.7725 Intermediate Similarity NPD4673 Phase 2
0.766 Intermediate Similarity NPD5428 Discontinued
0.7566 Intermediate Similarity NPD3403 Clinical (unspecified phase)
0.7549 Intermediate Similarity NPD1954 Phase 1
0.7514 Intermediate Similarity NPD5925 Phase 1
0.7474 Intermediate Similarity NPD6307 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD2762 Phase 2
0.7463 Intermediate Similarity NPD3234 Phase 3
0.7463 Intermediate Similarity NPD3233 Phase 2
0.7461 Intermediate Similarity NPD3814 Phase 1
0.7457 Intermediate Similarity NPD2882 Phase 1
0.7457 Intermediate Similarity NPD6476 Clinical (unspecified phase)
0.7457 Intermediate Similarity NPD6158 Phase 2
0.7432 Intermediate Similarity NPD6159 Phase 2
0.7391 Intermediate Similarity NPD1503 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD2794 Discontinued
0.7347 Intermediate Similarity NPD6132 Phase 1
0.7315 Intermediate Similarity NPD6490 Phase 2
0.7306 Intermediate Similarity NPD7935 Phase 2
0.725 Intermediate Similarity NPD5528 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD5529 Phase 1
0.7245 Intermediate Similarity NPD1838 Clinical (unspecified phase)
0.724 Intermediate Similarity NPD4615 Phase 2
0.7236 Intermediate Similarity NPD6403 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD4312 Approved
0.7231 Intermediate Similarity NPD5885 Approved
0.7225 Intermediate Similarity NPD1043 Phase 3
0.72 Intermediate Similarity NPD1197 Approved
0.7196 Intermediate Similarity NPD2757 Phase 2
0.7178 Intermediate Similarity NPD3014 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD3013 Phase 3
0.7171 Intermediate Similarity NPD7112 Discontinued
0.713 Intermediate Similarity NPD6724 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD7409 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD4358 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD6145 Phase 1
0.7097 Intermediate Similarity NPD6605 Phase 3
0.7095 Intermediate Similarity NPD983 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD3830 Phase 1
0.709 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD6958 Approved
0.7087 Intermediate Similarity NPD6957 Approved
0.7081 Intermediate Similarity NPD5996 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD6285 Phase 2
0.7075 Intermediate Similarity NPD6326 Phase 2
0.7075 Intermediate Similarity NPD6327 Phase 1
0.7072 Intermediate Similarity NPD1684 Approved
0.7072 Intermediate Similarity NPD1685 Approved
0.7053 Intermediate Similarity NPD7423 Phase 2
0.7049 Intermediate Similarity NPD6794 Approved
0.7048 Intermediate Similarity NPD4945 Discontinued
0.7044 Intermediate Similarity NPD6545 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD6492 Phase 2
0.7035 Intermediate Similarity NPD6592 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7028 Intermediate Similarity NPD1273 Discontinued
0.7023 Intermediate Similarity NPD3960 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD5943 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD6711 Approved
0.7 Intermediate Similarity NPD5833 Phase 1
0.6994 Remote Similarity NPD1592 Phase 3
0.6991 Remote Similarity NPD4306 Phase 1
0.699 Remote Similarity NPD4457 Phase 2
0.699 Remote Similarity NPD4999 Phase 3
0.699 Remote Similarity NPD1912 Approved
0.699 Remote Similarity NPD4998 Phase 3
0.699 Remote Similarity NPD6491 Clinical (unspecified phase)
0.6986 Remote Similarity NPD5905 Phase 1
0.6979 Remote Similarity NPD2591 Phase 2
0.6974 Remote Similarity NPD4950 Approved
0.6974 Remote Similarity NPD1234 Discontinued
0.697 Remote Similarity NPD7889 Clinical (unspecified phase)
0.6966 Remote Similarity NPD3262 Approved
0.6966 Remote Similarity NPD2524 Discontinued
0.6963 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6959 Remote Similarity NPD3439 Approved
0.6957 Remote Similarity NPD1215 Discontinued
0.6952 Remote Similarity NPD5065 Approved
0.695 Remote Similarity NPD4511 Phase 1
0.6947 Remote Similarity NPD4204 Approved
0.6947 Remote Similarity NPD4203 Approved
0.6943 Remote Similarity NPD2383 Phase 1
0.6931 Remote Similarity NPD5425 Phase 1
0.693 Remote Similarity NPD4925 Approved
0.693 Remote Similarity NPD1900 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6022 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7726 Phase 1
0.6919 Remote Similarity NPD852 Discontinued
0.6916 Remote Similarity NPD6165 Phase 2
0.6916 Remote Similarity NPD6164 Phase 2
0.6915 Remote Similarity NPD3765 Approved
0.6915 Remote Similarity NPD3928 Approved
0.6915 Remote Similarity NPD3931 Approved
0.6906 Remote Similarity NPD639 Discontinued
0.6904 Remote Similarity NPD3810 Clinical (unspecified phase)
0.6902 Remote Similarity NPD3889 Approved
0.6901 Remote Similarity NPD4932 Clinical (unspecified phase)
0.6898 Remote Similarity NPD4996 Approved
0.6898 Remote Similarity NPD4995 Approved
0.6895 Remote Similarity NPD5804 Clinical (unspecified phase)
0.6893 Remote Similarity NPD1468 Clinical (unspecified phase)
0.6892 Remote Similarity NPD7067 Approved
0.6892 Remote Similarity NPD7068 Approved
0.6888 Remote Similarity NPD6887 Clinical (unspecified phase)
0.6888 Remote Similarity NPD2127 Suspended
0.6884 Remote Similarity NPD6468 Clinical (unspecified phase)
0.6884 Remote Similarity NPD6469 Phase 3
0.6875 Remote Similarity NPD5413 Phase 2
0.6869 Remote Similarity NPD7051 Phase 3
0.6869 Remote Similarity NPD7050 Clinical (unspecified phase)
0.6865 Remote Similarity NPD4213 Clinical (unspecified phase)
0.6864 Remote Similarity NPD9187 Approved
0.6862 Remote Similarity NPD3799 Suspended
0.6862 Remote Similarity NPD7006 Approved
0.6861 Remote Similarity NPD3962 Phase 2
0.6861 Remote Similarity NPD3959 Phase 2
0.686 Remote Similarity NPD3330 Phase 1
0.6854 Remote Similarity NPD7202 Clinical (unspecified phase)
0.6854 Remote Similarity NPD5045 Phase 2
0.685 Remote Similarity NPD8395 Approved
0.685 Remote Similarity NPD8396 Approved
0.6848 Remote Similarity NPD404 Discontinued
0.6845 Remote Similarity NPD2993 Clinical (unspecified phase)
0.6845 Remote Similarity NPD8321 Discontinued
0.6842 Remote Similarity NPD4438 Approved
0.684 Remote Similarity NPD6589 Phase 1
0.6831 Remote Similarity NPD6074 Clinical (unspecified phase)
0.6829 Remote Similarity NPD4612 Discontinued
0.6814 Remote Similarity NPD3932 Clinical (unspecified phase)
0.6813 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6813 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6813 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6812 Remote Similarity NPD6458 Discontinued
0.6811 Remote Similarity NPD509 Phase 3
0.6806 Remote Similarity NPD702 Clinical (unspecified phase)
0.6804 Remote Similarity NPD6721 Phase 1
0.6804 Remote Similarity NPD3838 Phase 3
0.6802 Remote Similarity NPD3872 Phase 3
0.6802 Remote Similarity NPD7722 Suspended
0.68 Remote Similarity NPD2727 Phase 2
0.6794 Remote Similarity NPD7188 Phase 3
0.6792 Remote Similarity NPD5827 Discontinued
0.6787 Remote Similarity NPD4938 Phase 2
0.6787 Remote Similarity NPD6750 Phase 2
0.678 Remote Similarity NPD3930 Clinical (unspecified phase)
0.6779 Remote Similarity NPD6202 Discontinued
0.6779 Remote Similarity NPD3976 Clinical (unspecified phase)
0.6772 Remote Similarity NPD9690 Approved
0.6772 Remote Similarity NPD5153 Clinical (unspecified phase)
0.6771 Remote Similarity NPD5874 Phase 3
0.6771 Remote Similarity NPD5873 Phase 3
0.6768 Remote Similarity NPD5575 Clinical (unspecified phase)
0.6768 Remote Similarity NPD9695 Approved
0.6766 Remote Similarity NPD5828 Phase 2
0.6765 Remote Similarity NPD7103 Approved
0.6765 Remote Similarity NPD7270 Phase 2
0.6762 Remote Similarity NPD6643 Discontinued
0.6759 Remote Similarity NPD2714 Clinical (unspecified phase)
0.6757 Remote Similarity NPD5138 Approved
0.6757 Remote Similarity NPD5140 Approved
0.6754 Remote Similarity NPD5398 Clinical (unspecified phase)
0.6753 Remote Similarity NPD2814 Clinical (unspecified phase)
0.6743 Remote Similarity NPD8004 Discontinued
0.6736 Remote Similarity NPD5493 Clinical (unspecified phase)
0.6736 Remote Similarity NPD2391 Clinical (unspecified phase)
0.6734 Remote Similarity NPD6251 Discontinued
0.6732 Remote Similarity NPD3842 Clinical (unspecified phase)
0.6732 Remote Similarity NPD6150 Discontinued
0.6723 Remote Similarity NPD3813 Approved
0.672 Remote Similarity NPD925 Approved
0.672 Remote Similarity NPD966 Clinical (unspecified phase)
0.672 Remote Similarity NPD1313 Approved
0.672 Remote Similarity NPD926 Approved
0.6719 Remote Similarity NPD6452 Discontinued
0.6718 Remote Similarity NPD7758 Approved
0.6718 Remote Similarity NPD2917 Approved
0.6718 Remote Similarity NPD706 Phase 1
0.6718 Remote Similarity NPD3315 Phase 3
0.6718 Remote Similarity NPD7757 Approved
0.6717 Remote Similarity NPD6577 Clinical (unspecified phase)
0.6717 Remote Similarity NPD3404 Approved
0.6714 Remote Similarity NPD6856 Discontinued
0.6712 Remote Similarity NPD1572 Phase 2
0.6696 Remote Similarity NPD7856 Phase 2
0.6696 Remote Similarity NPD7857 Phase 3
0.6684 Remote Similarity NPD3002 Clinical (unspecified phase)
0.6684 Remote Similarity NPD7867 Phase 1
0.6683 Remote Similarity NPD1915 Phase 1
0.6683 Remote Similarity NPD3500 Clinical (unspecified phase)
0.6683 Remote Similarity NPD5176 Approved

Structure

External Identifiers

PubChem CID   44713892
ChEMBL   CHEMBL3088326
ZINC  

Physicochemical Properties

Molecular Weight:  289.09
ALogP:  -0.2697
MLogP:  2.78
XLogP:  3.994
# Rotatable Bonds:  3
Polar Surface Area:  78.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  22

Download Data

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