Natural Product: NPC92803

Natural Product ID:  NPC92803
Common Name:   Circumdatin G
IUPAC Name:   (7S)-9-hydroxy-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Synonyms:  
Molecular Formula:   C17H13N3O3
Standard InCHIKey:  VNCYXASDDCJEJE-VIFPVBQESA-N
Standard InCHI:  InChI=1S/C17H13N3O3/c1-9-15-19-14-11(6-4-8-13(14)21)17(23)20(15)12-7-3-2-5-10(12)16(22)18-9/h2-9,21H,1H3,(H,18,22)/t9-/m0/s1
Canonical SMILES:  OC1=N[C@@H](C)c2n(c3c1cccc3)c(=O)c1c(n2)c(O)ccc1
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
NPT116 Cell Line HL-60 Homo sapiens IC50 > 10000 nM 15711537
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 21144756
NPT111 Cell Line K562 Homo sapiens IC50 > 10000 nM 22348826
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 18285488

  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 NPC92803 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
0.9882 High Similarity NPC18890
0.8876 High Similarity NPC471130
0.8757 High Similarity NPC88970
0.8138 Intermediate Similarity NPC198401
0.7861 Intermediate Similarity NPC150308
0.7771 Intermediate Similarity NPC471132
0.7663 Intermediate Similarity NPC475594
0.7644 Intermediate Similarity NPC471196
0.7644 Intermediate Similarity NPC471195
0.7622 Intermediate Similarity NPC475607
0.759 Intermediate Similarity NPC316282
0.7581 Intermediate Similarity NPC474081
0.7553 Intermediate Similarity NPC270301
0.75 Intermediate Similarity NPC144691
0.7447 Intermediate Similarity NPC474041
0.7447 Intermediate Similarity NPC475761
0.7389 Intermediate Similarity NPC84317
0.7371 Intermediate Similarity NPC257851
0.7363 Intermediate Similarity NPC295548
0.736 Intermediate Similarity NPC472539
0.736 Intermediate Similarity NPC470787
0.736 Intermediate Similarity NPC472540
0.7358 Intermediate Similarity NPC473815
0.734 Intermediate Similarity NPC16249
0.734 Intermediate Similarity NPC471155
0.7323 Intermediate Similarity NPC472542
0.7323 Intermediate Similarity NPC472541
0.7316 Intermediate Similarity NPC475685
0.7308 Intermediate Similarity NPC154478
0.7304 Intermediate Similarity NPC270241
0.7291 Intermediate Similarity NPC225400
0.7268 Intermediate Similarity NPC93653
0.7268 Intermediate Similarity NPC27904
0.7255 Intermediate Similarity NPC470786
0.7255 Intermediate Similarity NPC472538
0.7251 Intermediate Similarity NPC300299
0.7228 Intermediate Similarity NPC289776
0.7228 Intermediate Similarity NPC191863
0.7228 Intermediate Similarity NPC133470
0.7183 Intermediate Similarity NPC220851
0.7157 Intermediate Similarity NPC163829
0.715 Intermediate Similarity NPC314659
0.7122 Intermediate Similarity NPC158551
0.7098 Intermediate Similarity NPC197335
0.7097 Intermediate Similarity NPC189116
0.7083 Intermediate Similarity NPC474815
0.7051 Intermediate Similarity NPC157931
0.7029 Intermediate Similarity NPC83214
0.7017 Intermediate Similarity NPC241392
0.7005 Intermediate Similarity NPC204867
0.7 Intermediate Similarity NPC315829
0.6989 Remote Similarity NPC207554
0.6979 Remote Similarity NPC471743
0.6971 Remote Similarity NPC43218
0.6954 Remote Similarity NPC87391
0.6949 Remote Similarity NPC2823
0.6944 Remote Similarity NPC324445
0.6935 Remote Similarity NPC144381
0.6916 Remote Similarity NPC248601
0.6911 Remote Similarity NPC355
0.6897 Remote Similarity NPC184437
0.6892 Remote Similarity NPC172222
0.6891 Remote Similarity NPC8467
0.6872 Remote Similarity NPC39822
0.6864 Remote Similarity NPC471762
0.6847 Remote Similarity NPC170333
0.6832 Remote Similarity NPC230403
0.6823 Remote Similarity NPC112336
0.6823 Remote Similarity NPC474814
0.6814 Remote Similarity NPC90229
0.6813 Remote Similarity NPC254798
0.6791 Remote Similarity NPC244425
0.6791 Remote Similarity NPC15384
0.6782 Remote Similarity NPC207428
0.678 Remote Similarity NPC122553
0.6776 Remote Similarity NPC237649
0.6776 Remote Similarity NPC300596
0.6772 Remote Similarity NPC199737
0.6753 Remote Similarity NPC470548
0.6748 Remote Similarity NPC106118
0.6732 Remote Similarity NPC471199
0.672 Remote Similarity NPC295021
0.6719 Remote Similarity NPC33507
0.6714 Remote Similarity NPC471191
0.6713 Remote Similarity NPC471197
0.6712 Remote Similarity NPC66777
0.6702 Remote Similarity NPC299582
0.6701 Remote Similarity NPC166169
0.6684 Remote Similarity NPC475983
0.6684 Remote Similarity NPC476231
0.6683 Remote Similarity NPC203635
0.6682 Remote Similarity NPC471198
0.6681 Remote Similarity NPC477549
0.6667 Remote Similarity NPC309845
0.6667 Remote Similarity NPC133156
0.6667 Remote Similarity NPC317727
0.6667 Remote Similarity NPC301163
0.6667 Remote Similarity NPC182131
0.6652 Remote Similarity NPC477112
0.6651 Remote Similarity NPC250448
0.6651 Remote Similarity NPC285192
0.6649 Remote Similarity NPC113056
0.6649 Remote Similarity NPC138293
0.6633 Remote Similarity NPC243058
0.6617 Remote Similarity NPC262725
0.6616 Remote Similarity NPC85613
0.6616 Remote Similarity NPC5167
0.6616 Remote Similarity NPC298320
0.6604 Remote Similarity NPC270918
0.6604 Remote Similarity NPC53344
0.6603 Remote Similarity NPC471944
0.66 Remote Similarity NPC471742
0.6599 Remote Similarity NPC219848
0.6598 Remote Similarity NPC471778
0.659 Remote Similarity NPC62995
0.659 Remote Similarity NPC322064
0.6578 Remote Similarity NPC117032
0.6576 Remote Similarity NPC146370
0.6574 Remote Similarity NPC74562
0.6574 Remote Similarity NPC316181
0.6574 Remote Similarity NPC151781
0.6567 Remote Similarity NPC161801
0.6566 Remote Similarity NPC256268
0.6561 Remote Similarity NPC478141
0.656 Remote Similarity NPC313327
0.6553 Remote Similarity NPC276517
0.6552 Remote Similarity NPC230805
0.6535 Remote Similarity NPC90415
0.6528 Remote Similarity NPC153980
0.6528 Remote Similarity NPC6865
0.6526 Remote Similarity NPC283117
0.6526 Remote Similarity NPC212123
0.652 Remote Similarity NPC5630
0.6519 Remote Similarity NPC204156
0.6519 Remote Similarity NPC47986
0.6517 Remote Similarity NPC253476
0.6517 Remote Similarity NPC302235
0.6515 Remote Similarity NPC9475
0.651 Remote Similarity NPC257763
0.6497 Remote Similarity NPC303225
0.6495 Remote Similarity NPC330683
0.6495 Remote Similarity NPC329567
0.6493 Remote Similarity NPC211813
0.649 Remote Similarity NPC470021
0.6484 Remote Similarity NPC471574
0.6484 Remote Similarity NPC43477
0.6481 Remote Similarity NPC72956
0.6481 Remote Similarity NPC294375
0.6477 Remote Similarity NPC226662
0.6476 Remote Similarity NPC477516
0.6471 Remote Similarity NPC303374
0.6457 Remote Similarity NPC476950
0.6455 Remote Similarity NPC182853
0.6452 Remote Similarity NPC305542
0.6452 Remote Similarity NPC471194
0.6452 Remote Similarity NPC471193
0.6449 Remote Similarity NPC478075
0.6438 Remote Similarity NPC469928
0.6432 Remote Similarity NPC14849
0.6429 Remote Similarity NPC280714
0.6425 Remote Similarity NPC470485
0.6422 Remote Similarity NPC206186
0.6418 Remote Similarity NPC472163
0.6418 Remote Similarity NPC28368
0.6409 Remote Similarity NPC469727
0.6409 Remote Similarity NPC293151
0.6398 Remote Similarity NPC9373
0.6398 Remote Similarity NPC259678
0.6395 Remote Similarity NPC257490
0.6393 Remote Similarity NPC316202
0.6393 Remote Similarity NPC118228
0.6386 Remote Similarity NPC470317
0.6381 Remote Similarity NPC132874
0.6381 Remote Similarity NPC138615
0.6381 Remote Similarity NPC218733
0.6381 Remote Similarity NPC265642
0.6379 Remote Similarity NPC41501
0.6378 Remote Similarity NPC136002
0.6378 Remote Similarity NPC323798
0.6374 Remote Similarity NPC471316
0.6373 Remote Similarity NPC194040
0.6372 Remote Similarity NPC243850
0.6368 Remote Similarity NPC283810
0.6364 Remote Similarity NPC314702
0.6364 Remote Similarity NPC471192
0.6359 Remote Similarity NPC290755
0.6359 Remote Similarity NPC471771
0.6359 Remote Similarity NPC304074
0.6355 Remote Similarity NPC21429
0.635 Remote Similarity NPC315631
0.6347 Remote Similarity NPC30749
0.6339 Remote Similarity NPC472243
0.6335 Remote Similarity NPC27041
0.6332 Remote Similarity NPC328611
0.633 Remote Similarity NPC218303
0.633 Remote Similarity NPC242000
0.6329 Remote Similarity NPC470483
0.6329 Remote Similarity NPC1820
0.6329 Remote Similarity NPC203628
0.6327 Remote Similarity NPC127362

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC92803 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
0.7914 Intermediate Similarity NPD4515 Suspended
0.7849 Intermediate Similarity NPD5923 Phase 1
0.7487 Intermediate Similarity NPD7071 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD7225 Discontinued
0.738 Intermediate Similarity NPD7449 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD1919 Approved
0.7278 Intermediate Similarity NPD1920 Approved
0.7245 Intermediate Similarity NPD5042 Phase 1
0.7236 Intermediate Similarity NPD5515 Phase 2
0.7225 Intermediate Similarity NPD5445 Approved
0.7143 Intermediate Similarity NPD5078 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD3802 Phase 3
0.709 Intermediate Similarity NPD1165 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD2791 Discontinued
0.7039 Intermediate Similarity NPD6884 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD5937 Approved
0.6905 Remote Similarity NPD5860 Discontinued
0.6902 Remote Similarity NPD3229 Phase 2
0.6889 Remote Similarity NPD6017 Discontinued
0.6882 Remote Similarity NPD7735 Clinical (unspecified phase)
0.6872 Remote Similarity NPD4430 Phase 2
0.6845 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6832 Remote Similarity NPD4539 Phase 1
0.6814 Remote Similarity NPD4423 Clinical (unspecified phase)
0.6806 Remote Similarity NPD2821 Approved
0.68 Remote Similarity NPD6608 Clinical (unspecified phase)
0.68 Remote Similarity NPD7855 Clinical (unspecified phase)
0.678 Remote Similarity NPD5856 Discontinued
0.6776 Remote Similarity NPD4942 Approved
0.6757 Remote Similarity NPD6199 Discontinued
0.6748 Remote Similarity NPD6874 Approved
0.6734 Remote Similarity NPD6557 Phase 2
0.6731 Remote Similarity NPD6795 Clinical (unspecified phase)
0.673 Remote Similarity NPD4082 Approved
0.6718 Remote Similarity NPD5603 Clinical (unspecified phase)
0.6717 Remote Similarity NPD3253 Clinical (unspecified phase)
0.6716 Remote Similarity NPD8025 Phase 2
0.6698 Remote Similarity NPD5593 Approved
0.6698 Remote Similarity NPD5594 Approved
0.6685 Remote Similarity NPD4939 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5608 Approved
0.6667 Remote Similarity NPD5882 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5609 Approved
0.665 Remote Similarity NPD5591 Approved
0.665 Remote Similarity NPD6162 Approved
0.665 Remote Similarity NPD6161 Approved
0.6649 Remote Similarity NPD2469 Approved
0.6649 Remote Similarity NPD2468 Approved
0.6623 Remote Similarity NPD3962 Phase 2
0.6623 Remote Similarity NPD3959 Phase 2
0.6617 Remote Similarity NPD3316 Clinical (unspecified phase)
0.6616 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6616 Remote Similarity NPD7014 Clinical (unspecified phase)
0.6613 Remote Similarity NPD3277 Phase 3
0.6603 Remote Similarity NPD3416 Discontinued
0.6601 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6598 Remote Similarity NPD5183 Approved
0.6598 Remote Similarity NPD5186 Approved
0.6597 Remote Similarity NPD4871 Phase 2
0.6592 Remote Similarity NPD4845 Discontinued
0.6582 Remote Similarity NPD7662 Clinical (unspecified phase)
0.6579 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6578 Remote Similarity NPD3248 Phase 1
0.6566 Remote Similarity NPD3239 Clinical (unspecified phase)
0.6561 Remote Similarity NPD8311 Discontinued
0.6561 Remote Similarity NPD2672 Discontinued
0.656 Remote Similarity NPD3949 Clinical (unspecified phase)
0.6559 Remote Similarity NPD5546 Clinical (unspecified phase)
0.6558 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6552 Remote Similarity NPD9714 Clinical (unspecified phase)
0.6548 Remote Similarity NPD1544 Phase 1
0.6548 Remote Similarity NPD4020 Clinical (unspecified phase)
0.6547 Remote Similarity NPD7603 Discontinued
0.6544 Remote Similarity NPD4897 Phase 2
0.6538 Remote Similarity NPD5197 Approved
0.6538 Remote Similarity NPD5196 Approved
0.6538 Remote Similarity NPD5194 Approved
0.6535 Remote Similarity NPD5469 Phase 3
0.653 Remote Similarity NPD7292 Approved
0.6528 Remote Similarity NPD7178 Clinical (unspecified phase)
0.6526 Remote Similarity NPD7043 Discontinued
0.6524 Remote Similarity NPD5552 Discontinued
0.6519 Remote Similarity NPD3391 Approved
0.6514 Remote Similarity NPD8149 Discontinued
0.6505 Remote Similarity NPD4888 Discontinued
0.6503 Remote Similarity NPD6301 Phase 2
0.6503 Remote Similarity NPD1625 Approved
0.6495 Remote Similarity NPD3472 Approved
0.6495 Remote Similarity NPD4022 Approved
0.6495 Remote Similarity NPD6376 Discontinued
0.6495 Remote Similarity NPD2906 Approved
0.6495 Remote Similarity NPD2907 Approved
0.6492 Remote Similarity NPD6738 Phase 2
0.6492 Remote Similarity NPD6737 Phase 2
0.6488 Remote Similarity NPD5871 Discontinued
0.648 Remote Similarity NPD3776 Discontinued
0.6471 Remote Similarity NPD5748 Phase 2
0.6471 Remote Similarity NPD3783 Clinical (unspecified phase)
0.6471 Remote Similarity NPD2792 Approved
0.6468 Remote Similarity NPD7559 Phase 2
0.6465 Remote Similarity NPD2361 Approved
0.6462 Remote Similarity NPD6480 Clinical (unspecified phase)
0.6462 Remote Similarity NPD6379 Discontinued
0.6461 Remote Similarity NPD2949 Approved
0.6461 Remote Similarity NPD2950 Approved
0.6458 Remote Similarity NPD5599 Discontinued
0.6456 Remote Similarity NPD7569 Approved
0.6456 Remote Similarity NPD7570 Approved
0.6455 Remote Similarity NPD4429 Discontinued
0.6449 Remote Similarity NPD5143 Clinical (unspecified phase)
0.6448 Remote Similarity NPD1189 Approved
0.6447 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6447 Remote Similarity NPD7443 Clinical (unspecified phase)
0.6445 Remote Similarity NPD7817 Phase 1
0.6443 Remote Similarity NPD1168 Approved
0.6439 Remote Similarity NPD7617 Discontinued
0.6436 Remote Similarity NPD7546 Discontinued
0.6435 Remote Similarity NPD8157 Clinical (unspecified phase)
0.6435 Remote Similarity NPD3372 Discontinued
0.6432 Remote Similarity NPD3793 Phase 3
0.6432 Remote Similarity NPD4456 Clinical (unspecified phase)
0.6432 Remote Similarity NPD6159 Phase 2
0.6432 Remote Similarity NPD4092 Approved
0.6425 Remote Similarity NPD6046 Clinical (unspecified phase)
0.6425 Remote Similarity NPD3631 Phase 3
0.6421 Remote Similarity NPD3684 Discontinued
0.642 Remote Similarity NPD4894 Discontinued
0.6419 Remote Similarity NPD7300 Phase 3
0.6419 Remote Similarity NPD7302 Phase 3
0.6419 Remote Similarity NPD6593 Clinical (unspecified phase)
0.6414 Remote Similarity NPD2359 Approved
0.6411 Remote Similarity NPD5195 Discontinued
0.6411 Remote Similarity NPD4979 Clinical (unspecified phase)
0.641 Remote Similarity NPD5823 Approved
0.6408 Remote Similarity NPD6022 Clinical (unspecified phase)
0.6407 Remote Similarity NPD7660 Clinical (unspecified phase)
0.6406 Remote Similarity NPD4493 Discontinued
0.6406 Remote Similarity NPD5416 Discontinued
0.6404 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6404 Remote Similarity NPD5946 Clinical (unspecified phase)
0.64 Remote Similarity NPD2827 Approved
0.64 Remote Similarity NPD2825 Approved
0.64 Remote Similarity NPD2826 Approved
0.6398 Remote Similarity NPD3278 Clinical (unspecified phase)
0.6398 Remote Similarity NPD1524 Phase 1
0.639 Remote Similarity NPD1898 Discontinued
0.6387 Remote Similarity NPD6855 Clinical (unspecified phase)
0.6387 Remote Similarity NPD951 Approved
0.6385 Remote Similarity NPD5513 Phase 2
0.6382 Remote Similarity NPD4091 Approved
0.6382 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6381 Remote Similarity NPD5071 Phase 2
0.6376 Remote Similarity NPD4492 Approved
0.6376 Remote Similarity NPD4494 Approved
0.6372 Remote Similarity NPD4596 Phase 1
0.6369 Remote Similarity NPD1541 Approved
0.6368 Remote Similarity NPD5506 Approved
0.6368 Remote Similarity NPD5507 Approved
0.6368 Remote Similarity NPD6293 Clinical (unspecified phase)
0.6359 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6359 Remote Similarity NPD6204 Clinical (unspecified phase)
0.6359 Remote Similarity NPD3363 Clinical (unspecified phase)
0.6359 Remote Similarity NPD3439 Approved
0.6355 Remote Similarity NPD4412 Phase 2
0.6355 Remote Similarity NPD4465 Phase 2
0.6355 Remote Similarity NPD4467 Phase 2
0.6355 Remote Similarity NPD1294 Discontinued
0.6351 Remote Similarity NPD5999 Phase 2
0.6351 Remote Similarity NPD6757 Phase 3
0.635 Remote Similarity NPD3755 Clinical (unspecified phase)
0.6348 Remote Similarity NPD2951 Discontinued
0.6347 Remote Similarity NPD3243 Approved
0.6343 Remote Similarity NPD7232 Discontinued
0.6343 Remote Similarity NPD2916 Discontinued
0.6341 Remote Similarity NPD4948 Discontinued
0.6338 Remote Similarity NPD7316 Discontinued
0.6337 Remote Similarity NPD5637 Discontinued
0.6335 Remote Similarity NPD7072 Phase 2
0.6332 Remote Similarity NPD3522 Approved
0.6332 Remote Similarity NPD7324 Discontinued
0.6332 Remote Similarity NPD5151 Clinical (unspecified phase)
0.6332 Remote Similarity NPD5966 Clinical (unspecified phase)
0.633 Remote Similarity NPD4432 Discontinued
0.633 Remote Similarity NPD979 Approved
0.6327 Remote Similarity NPD3263 Phase 3
0.6326 Remote Similarity NPD6807 Phase 3
0.6324 Remote Similarity NPD2762 Phase 2
0.6323 Remote Similarity NPD7858 Clinical (unspecified phase)
0.6321 Remote Similarity NPD4393 Approved
0.6321 Remote Similarity NPD33 Approved
0.6319 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6318 Remote Similarity NPD7428 Clinical (unspecified phase)
0.6318 Remote Similarity NPD3999 Approved
0.6318 Remote Similarity NPD3998 Approved
0.6318 Remote Similarity NPD4562 Clinical (unspecified phase)
0.6318 Remote Similarity NPD3997 Approved
0.6316 Remote Similarity NPD6707 Clinical (unspecified phase)
0.6316 Remote Similarity NPD4400 Approved
0.6316 Remote Similarity NPD5022 Discontinued

Structure

External Identifiers

PubChem CID   10804637
ChEMBL   CHEMBL2375799
ZINC  

Physicochemical Properties

Molecular Weight:  307.10
ALogP:  -1.2478
MLogP:  2.67
XLogP:  2.523
# Rotatable Bonds:  3
Polar Surface Area:  85.49
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  23

Download Data

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Biological Activities  
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