Natural Product: NPC146724

Natural Product ID:  NPC146724
Common Name:   7-Hydroxy-1-Oxo-2H-Isoquinoline-5-Carboxylic Acid
IUPAC Name:   7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid
Synonyms:  
Molecular Formula:   C10H7NO4
Standard InCHIKey:  QBJOVHFWFSCZCX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H7NO4/c12-5-3-7-6(1-2-11-9(7)13)8(4-5)10(14)15/h1-4,12H,(H,11,13)(H,14,15)
Canonical SMILES:  Oc1cc(C(=O)O)c2c(c1)c(O)ncc2
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
NPO2192 Cortinarius subtortus Species Cortinariaceae Eukaryota fruiting bodies PMID[18447384]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity Activity = 21 % 25946116

  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 NPC146724 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
0.8807 High Similarity NPC164340
0.8602 High Similarity NPC90229
0.8424 Intermediate Similarity NPC44354
0.8265 Intermediate Similarity NPC309845
0.8095 Intermediate Similarity NPC56170
0.8068 Intermediate Similarity NPC113812
0.8022 Intermediate Similarity NPC303225
0.802 Intermediate Similarity NPC193238
0.7938 Intermediate Similarity NPC280714
0.7811 Intermediate Similarity NPC470020
0.7745 Intermediate Similarity NPC146976
0.7725 Intermediate Similarity NPC207851
0.7716 Intermediate Similarity NPC213308
0.7696 Intermediate Similarity NPC236668
0.7677 Intermediate Similarity NPC155792
0.7653 Intermediate Similarity NPC156704
0.7644 Intermediate Similarity NPC194040
0.7637 Intermediate Similarity NPC473057
0.7626 Intermediate Similarity NPC45459
0.7626 Intermediate Similarity NPC315491
0.7624 Intermediate Similarity NPC171787
0.7617 Intermediate Similarity NPC144381
0.7615 Intermediate Similarity NPC210296
0.7596 Intermediate Similarity NPC74360
0.7566 Intermediate Similarity NPC271792
0.7559 Intermediate Similarity NPC246381
0.7554 Intermediate Similarity NPC41717
0.7545 Intermediate Similarity NPC15406
0.7523 Intermediate Similarity NPC24019
0.75 Intermediate Similarity NPC295158
0.75 Intermediate Similarity NPC183537
0.75 Intermediate Similarity NPC167400
0.7488 Intermediate Similarity NPC210434
0.7488 Intermediate Similarity NPC88008
0.7476 Intermediate Similarity NPC276657
0.7476 Intermediate Similarity NPC219087
0.7474 Intermediate Similarity NPC183805
0.7447 Intermediate Similarity NPC139763
0.7446 Intermediate Similarity NPC97367
0.7436 Intermediate Similarity NPC83111
0.7433 Intermediate Similarity NPC273532
0.7423 Intermediate Similarity NPC206186
0.7419 Intermediate Similarity NPC22481
0.7416 Intermediate Similarity NPC246658
0.7411 Intermediate Similarity NPC329541
0.7405 Intermediate Similarity NPC471178
0.7404 Intermediate Similarity NPC237740
0.7402 Intermediate Similarity NPC183777
0.7399 Intermediate Similarity NPC107123
0.7399 Intermediate Similarity NPC114310
0.7397 Intermediate Similarity NPC189903
0.7397 Intermediate Similarity NPC182907
0.7387 Intermediate Similarity NPC224928
0.7385 Intermediate Similarity NPC253675
0.7383 Intermediate Similarity NPC470018
0.7382 Intermediate Similarity NPC471997
0.7379 Intermediate Similarity NPC124086
0.7366 Intermediate Similarity NPC108469
0.7361 Intermediate Similarity NPC278525
0.7352 Intermediate Similarity NPC108342
0.7346 Intermediate Similarity NPC216428
0.7345 Intermediate Similarity NPC77878
0.7323 Intermediate Similarity NPC45850
0.7317 Intermediate Similarity NPC475835
0.7306 Intermediate Similarity NPC90875
0.7301 Intermediate Similarity NPC134637
0.7299 Intermediate Similarity NPC62367
0.7294 Intermediate Similarity NPC233334
0.7291 Intermediate Similarity NPC211813
0.7291 Intermediate Similarity NPC57398
0.7287 Intermediate Similarity NPC314940
0.7287 Intermediate Similarity NPC473764
0.7286 Intermediate Similarity NPC42678
0.7286 Intermediate Similarity NPC477907
0.7286 Intermediate Similarity NPC477909
0.7282 Intermediate Similarity NPC63041
0.7277 Intermediate Similarity NPC470279
0.7277 Intermediate Similarity NPC253314
0.7277 Intermediate Similarity NPC477912
0.7277 Intermediate Similarity NPC124313
0.7277 Intermediate Similarity NPC208522
0.7277 Intermediate Similarity NPC121069
0.7273 Intermediate Similarity NPC471448
0.7269 Intermediate Similarity NPC74575
0.7264 Intermediate Similarity NPC301368
0.7264 Intermediate Similarity NPC84815
0.726 Intermediate Similarity NPC220337
0.7253 Intermediate Similarity NPC312860
0.7251 Intermediate Similarity NPC471016
0.7251 Intermediate Similarity NPC27041
0.725 Intermediate Similarity NPC109922
0.7249 Intermediate Similarity NPC252590
0.7248 Intermediate Similarity NPC477112
0.7246 Intermediate Similarity NPC48042
0.7246 Intermediate Similarity NPC472550
0.7246 Intermediate Similarity NPC304179
0.7245 Intermediate Similarity NPC278434
0.7238 Intermediate Similarity NPC190401
0.7238 Intermediate Similarity NPC239763
0.7236 Intermediate Similarity NPC103230
0.7236 Intermediate Similarity NPC473821
0.7236 Intermediate Similarity NPC230403
0.7233 Intermediate Similarity NPC270918
0.7233 Intermediate Similarity NPC53344
0.7231 Intermediate Similarity NPC241025
0.723 Intermediate Similarity NPC54066
0.7225 Intermediate Similarity NPC472553
0.7222 Intermediate Similarity NPC114974
0.722 Intermediate Similarity NPC289086
0.7214 Intermediate Similarity NPC473814
0.7214 Intermediate Similarity NPC78767
0.7214 Intermediate Similarity NPC74153
0.7209 Intermediate Similarity NPC51388
0.7207 Intermediate Similarity NPC166722
0.7204 Intermediate Similarity NPC470306
0.7204 Intermediate Similarity NPC124542
0.7204 Intermediate Similarity NPC471177
0.7204 Intermediate Similarity NPC59779
0.7204 Intermediate Similarity NPC477910
0.7204 Intermediate Similarity NPC30570
0.72 Intermediate Similarity NPC93390
0.72 Intermediate Similarity NPC276517
0.7198 Intermediate Similarity NPC39679
0.7195 Intermediate Similarity NPC470017
0.7189 Intermediate Similarity NPC211920
0.7189 Intermediate Similarity NPC14116
0.7189 Intermediate Similarity NPC124029
0.7189 Intermediate Similarity NPC285411
0.7188 Intermediate Similarity NPC207283
0.7188 Intermediate Similarity NPC84164
0.7186 Intermediate Similarity NPC133140
0.7186 Intermediate Similarity NPC195268
0.7186 Intermediate Similarity NPC99666
0.7184 Intermediate Similarity NPC175602
0.7178 Intermediate Similarity NPC472284
0.7176 Intermediate Similarity NPC477902
0.7176 Intermediate Similarity NPC328154
0.7171 Intermediate Similarity NPC476098
0.7171 Intermediate Similarity NPC53144
0.717 Intermediate Similarity NPC191088
0.717 Intermediate Similarity NPC13599
0.717 Intermediate Similarity NPC475408
0.717 Intermediate Similarity NPC268393
0.717 Intermediate Similarity NPC471014
0.717 Intermediate Similarity NPC298840
0.717 Intermediate Similarity NPC6981
0.717 Intermediate Similarity NPC303384
0.717 Intermediate Similarity NPC3214
0.7169 Intermediate Similarity NPC474701
0.7168 Intermediate Similarity NPC322488
0.7168 Intermediate Similarity NPC178858
0.7163 Intermediate Similarity NPC127026
0.7163 Intermediate Similarity NPC127720
0.7158 Intermediate Similarity NPC253810
0.7156 Intermediate Similarity NPC311196
0.7156 Intermediate Similarity NPC118228
0.7156 Intermediate Similarity NPC4421
0.7156 Intermediate Similarity NPC134384
0.7156 Intermediate Similarity NPC264674
0.7151 Intermediate Similarity NPC159630
0.7151 Intermediate Similarity NPC322644
0.7151 Intermediate Similarity NPC230085
0.7143 Intermediate Similarity NPC148860
0.7143 Intermediate Similarity NPC473506
0.7143 Intermediate Similarity NPC119134
0.7143 Intermediate Similarity NPC314002
0.7143 Intermediate Similarity NPC292517
0.7143 Intermediate Similarity NPC476467
0.7136 Intermediate Similarity NPC49547
0.7136 Intermediate Similarity NPC207686
0.7136 Intermediate Similarity NPC264285
0.7136 Intermediate Similarity NPC144779
0.7136 Intermediate Similarity NPC294579
0.7135 Intermediate Similarity NPC84347
0.713 Intermediate Similarity NPC322482
0.713 Intermediate Similarity NPC471980
0.713 Intermediate Similarity NPC76565
0.7128 Intermediate Similarity NPC220765
0.712 Intermediate Similarity NPC263455
0.7113 Intermediate Similarity NPC317010
0.711 Intermediate Similarity NPC87152
0.711 Intermediate Similarity NPC476110
0.711 Intermediate Similarity NPC475601
0.711 Intermediate Similarity NPC475600
0.711 Intermediate Similarity NPC475631
0.7103 Intermediate Similarity NPC472555
0.7098 Intermediate Similarity NPC184964
0.7097 Intermediate Similarity NPC475137
0.7097 Intermediate Similarity NPC475498
0.7095 Intermediate Similarity NPC9894
0.7094 Intermediate Similarity NPC474916
0.7092 Intermediate Similarity NPC204717
0.7091 Intermediate Similarity NPC477906
0.7091 Intermediate Similarity NPC150698
0.7091 Intermediate Similarity NPC96801
0.7089 Intermediate Similarity NPC477908
0.7089 Intermediate Similarity NPC206343
0.7089 Intermediate Similarity NPC162812
0.7087 Intermediate Similarity NPC317572
0.7085 Intermediate Similarity NPC470022

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC146724 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
0.7732 Intermediate Similarity NPD5975 Clinical (unspecified phase)
0.7626 Intermediate Similarity NPD484 Approved
0.7584 Intermediate Similarity NPD9706 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD7069 Discontinued
0.75 Intermediate Similarity NPD9074 Approved
0.75 Intermediate Similarity NPD1483 Discontinued
0.75 Intermediate Similarity NPD9075 Approved
0.746 Intermediate Similarity NPD5751 Clinical (unspecified phase)
0.7446 Intermediate Similarity NPD5088 Discontinued
0.7361 Intermediate Similarity NPD5801 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD7395 Discontinued
0.7273 Intermediate Similarity NPD107 Approved
0.726 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD2896 Discontinued
0.7236 Intermediate Similarity NPD4551 Phase 2
0.7234 Intermediate Similarity NPD2781 Approved
0.7222 Intermediate Similarity NPD2336 Approved
0.722 Intermediate Similarity NPD5901 Discontinued
0.7219 Intermediate Similarity NPD2780 Approved
0.7219 Intermediate Similarity NPD2782 Approved
0.7189 Intermediate Similarity NPD4845 Discontinued
0.7186 Intermediate Similarity NPD3923 Approved
0.7186 Intermediate Similarity NPD3922 Approved
0.7186 Intermediate Similarity NPD3924 Approved
0.7186 Intermediate Similarity NPD3921 Approved
0.7177 Intermediate Similarity NPD7927 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD1213 Phase 3
0.7159 Intermediate Similarity NPD203 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD8304 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4889 Approved
0.7143 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD926 Approved
0.7128 Intermediate Similarity NPD925 Approved
0.7083 Intermediate Similarity NPD9690 Approved
0.7079 Intermediate Similarity NPD2307 Discontinued
0.7059 Intermediate Similarity NPD9705 Discontinued
0.7059 Intermediate Similarity NPD112 Approved
0.7056 Intermediate Similarity NPD3354 Phase 2
0.7039 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD9271 Approved
0.7028 Intermediate Similarity NPD3243 Approved
0.7026 Intermediate Similarity NPD9510 Approved
0.7019 Intermediate Similarity NPD2317 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD4989 Phase 2
0.7 Intermediate Similarity NPD425 Approved
0.7 Intermediate Similarity NPD424 Approved
0.6985 Remote Similarity NPD4948 Discontinued
0.6985 Remote Similarity NPD6791 Phase 2
0.6979 Remote Similarity NPD485 Clinical (unspecified phase)
0.6972 Remote Similarity NPD2803 Discontinued
0.6971 Remote Similarity NPD6138 Clinical (unspecified phase)
0.6961 Remote Similarity NPD751 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5100 Phase 3
0.6947 Remote Similarity NPD7886 Phase 2
0.6947 Remote Similarity NPD7885 Phase 2
0.6942 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6941 Remote Similarity NPD7586 Clinical (unspecified phase)
0.6938 Remote Similarity NPD7010 Phase 3
0.6935 Remote Similarity NPD2809 Approved
0.6935 Remote Similarity NPD4375 Approved
0.6934 Remote Similarity NPD3779 Clinical (unspecified phase)
0.693 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6919 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6909 Remote Similarity NPD3263 Phase 3
0.6906 Remote Similarity NPD5015 Clinical (unspecified phase)
0.6905 Remote Similarity NPD5429 Discontinued
0.6904 Remote Similarity NPD3178 Discontinued
0.69 Remote Similarity NPD9363 Approved
0.69 Remote Similarity NPD9364 Phase 2
0.6898 Remote Similarity NPD1926 Approved
0.6897 Remote Similarity NPD6361 Phase 2
0.6897 Remote Similarity NPD5575 Clinical (unspecified phase)
0.6894 Remote Similarity NPD8091 Phase 3
0.689 Remote Similarity NPD6987 Phase 1
0.6888 Remote Similarity NPD5398 Clinical (unspecified phase)
0.6884 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6881 Remote Similarity NPD5147 Discontinued
0.6878 Remote Similarity NPD7948 Phase 1
0.6878 Remote Similarity NPD2511 Approved
0.6875 Remote Similarity NPD1627 Clinical (unspecified phase)
0.6869 Remote Similarity NPD2094 Phase 2
0.6869 Remote Similarity NPD2092 Phase 2
0.6869 Remote Similarity NPD2095 Phase 2
0.6868 Remote Similarity NPD3813 Approved
0.6862 Remote Similarity NPD820 Phase 3
0.6857 Remote Similarity NPD5601 Phase 2
0.6854 Remote Similarity NPD7703 Clinical (unspecified phase)
0.6853 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6847 Remote Similarity NPD6665 Discontinued
0.6842 Remote Similarity NPD4044 Discontinued
0.6835 Remote Similarity NPD6242 Discontinued
0.6834 Remote Similarity NPD2091 Phase 2
0.6834 Remote Similarity NPD2096 Phase 2
0.6826 Remote Similarity NPD5483 Clinical (unspecified phase)
0.682 Remote Similarity NPD4429 Discontinued
0.682 Remote Similarity NPD6568 Discontinued
0.682 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6814 Remote Similarity NPD1173 Approved
0.6814 Remote Similarity NPD9695 Approved
0.6812 Remote Similarity NPD2177 Approved
0.6812 Remote Similarity NPD2176 Approved
0.6812 Remote Similarity NPD2175 Phase 3
0.681 Remote Similarity NPD2831 Approved
0.6808 Remote Similarity NPD648 Clinical (unspecified phase)
0.6804 Remote Similarity NPD4923 Phase 1
0.6797 Remote Similarity NPD5488 Discontinued
0.6794 Remote Similarity NPD6975 Discontinued
0.6792 Remote Similarity NPD6376 Discontinued
0.6791 Remote Similarity NPD3794 Approved
0.6791 Remote Similarity NPD3795 Approved
0.6791 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6789 Remote Similarity NPD7203 Clinical (unspecified phase)
0.6784 Remote Similarity NPD5805 Approved
0.678 Remote Similarity NPD4427 Phase 2
0.6773 Remote Similarity NPD8356 Approved
0.6771 Remote Similarity NPD2761 Approved
0.6769 Remote Similarity NPD750 Phase 2
0.6768 Remote Similarity NPD5445 Approved
0.6765 Remote Similarity NPD6569 Phase 2
0.6762 Remote Similarity NPD5513 Phase 2
0.6761 Remote Similarity NPD6529 Discontinued
0.6757 Remote Similarity NPD1270 Approved
0.6757 Remote Similarity NPD7603 Discontinued
0.6753 Remote Similarity NPD1575 Approved
0.6753 Remote Similarity NPD1573 Approved
0.675 Remote Similarity NPD1096 Discontinued
0.6748 Remote Similarity NPD5512 Phase 3
0.6741 Remote Similarity NPD8052 Clinical (unspecified phase)
0.6737 Remote Similarity NPD5255 Approved
0.6735 Remote Similarity NPD1923 Clinical (unspecified phase)
0.6735 Remote Similarity NPD482 Approved
0.6734 Remote Similarity NPD9362 Approved
0.6733 Remote Similarity NPD6257 Clinical (unspecified phase)
0.6731 Remote Similarity NPD6999 Discontinued
0.6731 Remote Similarity NPD7000 Clinical (unspecified phase)
0.673 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6719 Remote Similarity NPD1631 Approved
0.6714 Remote Similarity NPD2916 Discontinued
0.6714 Remote Similarity NPD7467 Discontinued
0.6714 Remote Similarity NPD7187 Phase 2
0.6712 Remote Similarity NPD3258 Approved
0.6709 Remote Similarity NPD3809 Discontinued
0.6701 Remote Similarity NPD3238 Discontinued
0.6701 Remote Similarity NPD749 Clinical (unspecified phase)
0.67 Remote Similarity NPD7234 Approved
0.67 Remote Similarity NPD4021 Phase 2
0.67 Remote Similarity NPD7233 Approved
0.67 Remote Similarity NPD5522 Clinical (unspecified phase)
0.6699 Remote Similarity NPD6389 Clinical (unspecified phase)
0.6699 Remote Similarity NPD5497 Clinical (unspecified phase)
0.6699 Remote Similarity NPD4418 Discontinued
0.6699 Remote Similarity NPD4491 Clinical (unspecified phase)
0.6697 Remote Similarity NPD2285 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6790 Phase 1
0.6695 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6682 Remote Similarity NPD8479 Phase 2
0.6682 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6682 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6752 Phase 1
0.6667 Remote Similarity NPD6753 Phase 1
0.6667 Remote Similarity NPD3006 Discontinued
0.6667 Remote Similarity NPD3815 Phase 1
0.6667 Remote Similarity NPD6716 Phase 1
0.6667 Remote Similarity NPD5022 Discontinued
0.6667 Remote Similarity NPD2753 Discontinued
0.6667 Remote Similarity NPD3816 Phase 1
0.6652 Remote Similarity NPD6494 Phase 2
0.6652 Remote Similarity NPD8430 Approved
0.6651 Remote Similarity NPD4039 Approved
0.6651 Remote Similarity NPD32 Approved
0.6651 Remote Similarity NPD4033 Approved
0.6651 Remote Similarity NPD4034 Approved
0.6651 Remote Similarity NPD6323 Clinical (unspecified phase)
0.6651 Remote Similarity NPD4036 Approved
0.6651 Remote Similarity NPD31 Approved
0.6651 Remote Similarity NPD4122 Approved
0.6651 Remote Similarity NPD4038 Approved
0.6651 Remote Similarity NPD4035 Approved
0.6651 Remote Similarity NPD4037 Approved
0.6651 Remote Similarity NPD5490 Discontinued
0.665 Remote Similarity NPD1038 Approved
0.665 Remote Similarity NPD3386 Phase 2
0.6649 Remote Similarity NPD6446 Discontinued
0.6638 Remote Similarity NPD5482 Discontinued
0.6637 Remote Similarity NPD3925 Approved
0.6636 Remote Similarity NPD2509 Approved
0.6636 Remote Similarity NPD2510 Approved
0.6633 Remote Similarity NPD3920 Phase 2
0.6624 Remote Similarity NPD6276 Discontinued
0.662 Remote Similarity NPD5939 Approved
0.662 Remote Similarity NPD5936 Approved
0.6617 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6607 Remote Similarity NPD5640 Discontinued
0.6606 Remote Similarity NPD3257 Approved
0.6606 Remote Similarity NPD4897 Phase 2
0.6606 Remote Similarity NPD5827 Discontinued
0.6603 Remote Similarity NPD7778 Approved

Structure

External Identifiers

PubChem CID   24896934
ChEMBL   CHEMBL473873
ZINC  

Physicochemical Properties

Molecular Weight:  205.04
ALogP:  -1.1604
MLogP:  2.01
XLogP:  0.243
# Rotatable Bonds:  4
Polar Surface Area:  90.65
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  15

Download Data

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Structure MOL file  
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Biological Activities  
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