Natural Product: NPC324786

Natural Product ID:  NPC324786
Common Name:   2-Chlorobenzoic Acid
IUPAC Name:   2-chlorobenzoic acid
Synonyms:   2-Chloro-Benzoic Acid; 2-Chlorobenzoic Acid
Molecular Formula:   C7H5ClO2
Standard InCHIKey:  IKCLCGXPQILATA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
Canonical SMILES:  OC(=O)c1ccccc1Cl
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
NPO7298 Brassica napus Species Brassicaceae Eukaryota trunk bark PMID[21312330]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 125.9 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT32 Organism Mus musculus Mus musculus IC50 = 250 nM 22047800
NPT2 Others Unspecified Potency 43.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13778.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Activity = 64 ug/ml 24499135
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 ug/ml 24499135
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC >= 64 ug/ml 24499135
NPT2 Others Unspecified FC = -0.7 13215
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 869.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27250.5 nM PubChem BioAssay data set

  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 NPC324786 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
0.9505 High Similarity NPC216122
0.949 High Similarity NPC291426
0.875 High Similarity NPC62765
0.8333 Intermediate Similarity NPC318107
0.8317 Intermediate Similarity NPC61944
0.8235 Intermediate Similarity NPC253423
0.8155 Intermediate Similarity NPC229242
0.8077 Intermediate Similarity NPC228435
0.8077 Intermediate Similarity NPC217621
0.8 Intermediate Similarity NPC282895
0.7925 Intermediate Similarity NPC25458
0.7925 Intermediate Similarity NPC284477
0.7925 Intermediate Similarity NPC304873
0.785 Intermediate Similarity NPC255676
0.7767 Intermediate Similarity NPC261181
0.7745 Intermediate Similarity NPC110704
0.7706 Intermediate Similarity NPC105899
0.7692 Intermediate Similarity NPC130398
0.7667 Intermediate Similarity NPC475691
0.7636 Intermediate Similarity NPC187913
0.7636 Intermediate Similarity NPC184658
0.7568 Intermediate Similarity NPC249811
0.7568 Intermediate Similarity NPC29883
0.7547 Intermediate Similarity NPC249912
0.7547 Intermediate Similarity NPC276775
0.7547 Intermediate Similarity NPC92754
0.75 Intermediate Similarity NPC100551
0.75 Intermediate Similarity NPC318327
0.75 Intermediate Similarity NPC85493
0.7477 Intermediate Similarity NPC78701
0.7477 Intermediate Similarity NPC35448
0.7477 Intermediate Similarity NPC225060
0.7475 Intermediate Similarity NPC285773
0.7407 Intermediate Similarity NPC118343
0.7407 Intermediate Similarity NPC203925
0.7407 Intermediate Similarity NPC325497
0.7407 Intermediate Similarity NPC146351
0.7368 Intermediate Similarity NPC260818
0.7368 Intermediate Similarity NPC476003
0.7339 Intermediate Similarity NPC42211
0.7339 Intermediate Similarity NPC70624
0.7315 Intermediate Similarity NPC210529
0.7315 Intermediate Similarity NPC175852
0.7315 Intermediate Similarity NPC160548
0.7304 Intermediate Similarity NPC158282
0.7304 Intermediate Similarity NPC66208
0.7304 Intermediate Similarity NPC321852
0.7297 Intermediate Similarity NPC249067
0.7295 Intermediate Similarity NPC475692
0.7295 Intermediate Similarity NPC474283
0.7273 Intermediate Similarity NPC188895
0.7273 Intermediate Similarity NPC45613
0.7217 Intermediate Similarity NPC243355
0.7207 Intermediate Similarity NPC60679
0.7207 Intermediate Similarity NPC301943
0.7207 Intermediate Similarity NPC474365
0.7207 Intermediate Similarity NPC89886
0.7184 Intermediate Similarity NPC322387
0.7182 Intermediate Similarity NPC52472
0.7179 Intermediate Similarity NPC153053
0.7179 Intermediate Similarity NPC211421
0.7179 Intermediate Similarity NPC237366
0.7172 Intermediate Similarity NPC127343
0.7155 Intermediate Similarity NPC474314
0.7143 Intermediate Similarity NPC114594
0.7143 Intermediate Similarity NPC31786
0.7119 Intermediate Similarity NPC186933
0.7119 Intermediate Similarity NPC306740
0.7119 Intermediate Similarity NPC81808
0.7115 Intermediate Similarity NPC329064
0.7105 Intermediate Similarity NPC34715
0.7105 Intermediate Similarity NPC226699
0.7105 Intermediate Similarity NPC141523
0.7105 Intermediate Similarity NPC303264
0.7105 Intermediate Similarity NPC211439
0.7094 Intermediate Similarity NPC272524
0.7091 Intermediate Similarity NPC245561
0.708 Intermediate Similarity NPC269457
0.708 Intermediate Similarity NPC163734
0.708 Intermediate Similarity NPC209632
0.708 Intermediate Similarity NPC219913
0.7059 Intermediate Similarity NPC44546
0.7054 Intermediate Similarity NPC329556
0.7054 Intermediate Similarity NPC160382
0.7054 Intermediate Similarity NPC13426
0.7043 Intermediate Similarity NPC224584
0.7034 Intermediate Similarity NPC98543
0.7034 Intermediate Similarity NPC474363
0.7034 Intermediate Similarity NPC223004
0.7018 Intermediate Similarity NPC119271
0.7018 Intermediate Similarity NPC6984
0.7018 Intermediate Similarity NPC30594
0.7018 Intermediate Similarity NPC37622
0.7 Intermediate Similarity NPC131192
0.7 Intermediate Similarity NPC128825
0.7 Intermediate Similarity NPC158157
0.7 Intermediate Similarity NPC312800
0.699 Remote Similarity NPC95965
0.6983 Remote Similarity NPC95172
0.6981 Remote Similarity NPC86670
0.6981 Remote Similarity NPC70940
0.6981 Remote Similarity NPC274455
0.6975 Remote Similarity NPC476357
0.6972 Remote Similarity NPC246679
0.6961 Remote Similarity NPC44830
0.6961 Remote Similarity NPC149263
0.6961 Remote Similarity NPC288903
0.6957 Remote Similarity NPC56493
0.6942 Remote Similarity NPC160199
0.6942 Remote Similarity NPC240664
0.693 Remote Similarity NPC13495
0.6923 Remote Similarity NPC474057
0.6917 Remote Similarity NPC100353
0.6909 Remote Similarity NPC156021
0.6909 Remote Similarity NPC289201
0.6899 Remote Similarity NPC473247
0.6897 Remote Similarity NPC17525
0.6897 Remote Similarity NPC17417
0.6897 Remote Similarity NPC10251
0.6897 Remote Similarity NPC269023
0.6897 Remote Similarity NPC83628
0.6897 Remote Similarity NPC474364
0.6897 Remote Similarity NPC469636
0.6897 Remote Similarity NPC265407
0.6897 Remote Similarity NPC99846
0.6887 Remote Similarity NPC173443
0.6885 Remote Similarity NPC27633
0.6885 Remote Similarity NPC241089
0.6885 Remote Similarity NPC273282
0.6885 Remote Similarity NPC229353
0.6885 Remote Similarity NPC474890
0.6885 Remote Similarity NPC94637
0.6885 Remote Similarity NPC161943
0.6885 Remote Similarity NPC94298
0.6881 Remote Similarity NPC32977
0.6881 Remote Similarity NPC81010
0.687 Remote Similarity NPC317592
0.6864 Remote Similarity NPC114682
0.6864 Remote Similarity NPC212718
0.686 Remote Similarity NPC83718
0.6857 Remote Similarity NPC194326
0.6846 Remote Similarity NPC30390
0.6838 Remote Similarity NPC174099
0.6838 Remote Similarity NPC214067
0.6838 Remote Similarity NPC196246
0.6838 Remote Similarity NPC93084
0.6838 Remote Similarity NPC251854
0.6837 Remote Similarity NPC32203
0.6837 Remote Similarity NPC206800
0.6833 Remote Similarity NPC474685
0.6829 Remote Similarity NPC90522
0.6829 Remote Similarity NPC156654
0.6829 Remote Similarity NPC61779
0.6829 Remote Similarity NPC472708
0.6829 Remote Similarity NPC328459
0.6827 Remote Similarity NPC294134
0.6818 Remote Similarity NPC257182
0.6814 Remote Similarity NPC320891
0.681 Remote Similarity NPC156648
0.6807 Remote Similarity NPC17693
0.6803 Remote Similarity NPC125252
0.6786 Remote Similarity NPC280869
0.6783 Remote Similarity NPC474910
0.678 Remote Similarity NPC313981
0.678 Remote Similarity NPC167504
0.678 Remote Similarity NPC116842
0.678 Remote Similarity NPC305912
0.678 Remote Similarity NPC1082
0.678 Remote Similarity NPC474157
0.678 Remote Similarity NPC210089
0.6774 Remote Similarity NPC130931
0.6774 Remote Similarity NPC150323
0.6774 Remote Similarity NPC72977
0.6774 Remote Similarity NPC233282
0.6774 Remote Similarity NPC260837
0.6759 Remote Similarity NPC317645
0.6757 Remote Similarity NPC270654
0.675 Remote Similarity NPC242136
0.675 Remote Similarity NPC11824
0.675 Remote Similarity NPC196673
0.6742 Remote Similarity NPC76453
0.6727 Remote Similarity NPC172925
0.6726 Remote Similarity NPC473325
0.6724 Remote Similarity NPC69332
0.6724 Remote Similarity NPC29989
0.6724 Remote Similarity NPC95178
0.6723 Remote Similarity NPC82899
0.6723 Remote Similarity NPC79496
0.6723 Remote Similarity NPC268388
0.6723 Remote Similarity NPC270699
0.672 Remote Similarity NPC165197
0.67 Remote Similarity NPC66655
0.6698 Remote Similarity NPC89377
0.6696 Remote Similarity NPC329282
0.6696 Remote Similarity NPC260000
0.6694 Remote Similarity NPC233165
0.6694 Remote Similarity NPC184579
0.6694 Remote Similarity NPC163154
0.6667 Remote Similarity NPC161611
0.6667 Remote Similarity NPC222390

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC324786 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
0.875 High Similarity NPD9258 Approved
0.875 High Similarity NPD9256 Approved
0.8333 Intermediate Similarity NPD9257 Approved
0.8333 Intermediate Similarity NPD9259 Approved
0.7767 Intermediate Similarity NPD1202 Approved
0.775 Intermediate Similarity NPD1888 Phase 1
0.7692 Intermediate Similarity NPD9260 Approved
0.7568 Intermediate Similarity NPD9264 Approved
0.7568 Intermediate Similarity NPD9267 Approved
0.7568 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD9263 Approved
0.75 Intermediate Similarity NPD9266 Approved
0.75 Intermediate Similarity NPD9251 Approved
0.75 Intermediate Similarity NPD74 Approved
0.75 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD9491 Approved
0.7438 Intermediate Similarity NPD4878 Approved
0.7417 Intermediate Similarity NPD1889 Phase 1
0.7407 Intermediate Similarity NPD1238 Approved
0.7407 Intermediate Similarity NPD3097 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD9495 Approved
0.7304 Intermediate Similarity NPD9508 Approved
0.7297 Intermediate Similarity NPD1237 Approved
0.7288 Intermediate Similarity NPD694 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD9490 Approved
0.7241 Intermediate Similarity NPD5277 Phase 2
0.7207 Intermediate Similarity NPD9261 Approved
0.7143 Intermediate Similarity NPD164 Approved
0.7119 Intermediate Similarity NPD9281 Approved
0.7119 Intermediate Similarity NPD5951 Approved
0.71 Intermediate Similarity NPD226 Approved
0.7054 Intermediate Similarity NPD1929 Approved
0.7054 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD1930 Approved
0.7048 Intermediate Similarity NPD9249 Phase 1
0.7048 Intermediate Similarity NPD800 Approved
0.7027 Intermediate Similarity NPD1616 Discontinued
0.7 Intermediate Similarity NPD9493 Approved
0.6981 Remote Similarity NPD1089 Approved
0.6981 Remote Similarity NPD1090 Approved
0.6981 Remote Similarity NPD1086 Approved
0.6957 Remote Similarity NPD9532 Phase 3
0.6937 Remote Similarity NPD2066 Phase 3
0.6916 Remote Similarity NPD1239 Approved
0.6897 Remote Similarity NPD2182 Approved
0.6885 Remote Similarity NPD9545 Approved
0.687 Remote Similarity NPD4453 Approved
0.687 Remote Similarity NPD4452 Approved
0.6855 Remote Similarity NPD4879 Approved
0.6852 Remote Similarity NPD1088 Approved
0.6837 Remote Similarity NPD9716 Approved
0.6814 Remote Similarity NPD1932 Approved
0.68 Remote Similarity NPD227 Approved
0.68 Remote Similarity NPD225 Approved
0.678 Remote Similarity NPD188 Approved
0.678 Remote Similarity NPD2181 Clinical (unspecified phase)
0.678 Remote Similarity NPD189 Phase 3
0.6774 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6774 Remote Similarity NPD1104 Approved
0.6774 Remote Similarity NPD9272 Approved
0.6774 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6744 Remote Similarity NPD454 Approved
0.6738 Remote Similarity NPD1230 Approved
0.6727 Remote Similarity NPD688 Clinical (unspecified phase)
0.6727 Remote Similarity NPD1693 Approved
0.67 Remote Similarity NPD9294 Approved
0.6698 Remote Similarity NPD4793 Discontinued
0.6698 Remote Similarity NPD1087 Approved
0.6694 Remote Similarity NPD1855 Clinical (unspecified phase)
0.6694 Remote Similarity NPD690 Clinical (unspecified phase)
0.6641 Remote Similarity NPD3098 Discontinued
0.6636 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6619 Remote Similarity NPD2354 Approved
0.6614 Remote Similarity NPD9717 Approved
0.6607 Remote Similarity NPD1566 Phase 3
0.6607 Remote Similarity NPD1564 Approved
0.6607 Remote Similarity NPD1565 Approved
0.6597 Remote Similarity NPD1514 Discontinued
0.6585 Remote Similarity NPD405 Clinical (unspecified phase)
0.6574 Remote Similarity NPD5346 Phase 2
0.6574 Remote Similarity NPD5347 Phase 2
0.6562 Remote Similarity NPD182 Clinical (unspecified phase)
0.656 Remote Similarity NPD9268 Approved
0.6525 Remote Similarity NPD1340 Discontinued
0.6519 Remote Similarity NPD1654 Clinical (unspecified phase)
0.6484 Remote Similarity NPD9269 Phase 2
0.6471 Remote Similarity NPD2329 Discontinued
0.6466 Remote Similarity NPD6647 Phase 2
0.6466 Remote Similarity NPD9500 Approved
0.6466 Remote Similarity NPD5422 Clinical (unspecified phase)
0.6462 Remote Similarity NPD1164 Approved
0.6462 Remote Similarity NPD1203 Approved
0.6449 Remote Similarity NPD2353 Approved
0.6449 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6449 Remote Similarity NPD7611 Approved
0.6446 Remote Similarity NPD2500 Approved
0.6446 Remote Similarity NPD2499 Approved
0.6444 Remote Similarity NPD1184 Approved
0.6423 Remote Similarity NPD2629 Approved
0.6423 Remote Similarity NPD1246 Approved
0.6417 Remote Similarity NPD1317 Discontinued
0.6412 Remote Similarity NPD6007 Clinical (unspecified phase)
0.641 Remote Similarity NPD5909 Discontinued
0.6404 Remote Similarity NPD9710 Approved
0.6404 Remote Similarity NPD9711 Approved
0.6395 Remote Similarity NPD7029 Discontinued
0.6376 Remote Similarity NPD1210 Approved
0.6355 Remote Similarity NPD9073 Approved
0.6351 Remote Similarity NPD7460 Discontinued
0.6348 Remote Similarity NPD9712 Approved
0.6339 Remote Similarity NPD1563 Approved
0.6328 Remote Similarity NPD9693 Approved
0.6328 Remote Similarity NPD9692 Approved
0.6327 Remote Similarity NPD958 Approved
0.6311 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6309 Remote Similarity NPD4874 Phase 2
0.6299 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6286 Remote Similarity NPD942 Approved
0.627 Remote Similarity NPD1359 Approved
0.6269 Remote Similarity NPD6966 Discovery
0.6269 Remote Similarity NPD7008 Discontinued
0.6269 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6268 Remote Similarity NPD3887 Approved
0.6259 Remote Similarity NPD1093 Approved
0.6259 Remote Similarity NPD1092 Approved
0.6259 Remote Similarity NPD1501 Clinical (unspecified phase)
0.624 Remote Similarity NPD255 Approved
0.624 Remote Similarity NPD256 Approved
0.6239 Remote Similarity NPD9722 Approved
0.6239 Remote Similarity NPD9721 Approved
0.6233 Remote Similarity NPD957 Approved
0.6232 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6228 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6228 Remote Similarity NPD1989 Approved
0.6222 Remote Similarity NPD411 Approved
0.6222 Remote Similarity NPD3764 Approved
0.622 Remote Similarity NPD2617 Discontinued
0.6209 Remote Similarity NPD2034 Discontinued
0.62 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6194 Remote Similarity NPD1974 Clinical (unspecified phase)
0.619 Remote Similarity NPD9568 Approved
0.6186 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6183 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6183 Remote Similarity NPD5157 Phase 1
0.6183 Remote Similarity NPD5159 Phase 2
0.6176 Remote Similarity NPD520 Approved
0.6174 Remote Similarity NPD9566 Approved
0.6172 Remote Similarity NPD4102 Approved
0.6172 Remote Similarity NPD1245 Approved
0.6172 Remote Similarity NPD4105 Approved
0.6168 Remote Similarity NPD3971 Phase 1
0.616 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1201 Approved
0.6154 Remote Similarity NPD3603 Phase 3
0.6154 Remote Similarity NPD518 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6287 Discontinued
0.6142 Remote Similarity NPD1758 Phase 1
0.6142 Remote Similarity NPD828 Approved
0.6132 Remote Similarity NPD9250 Approved
0.6126 Remote Similarity NPD689 Discontinued
0.6124 Remote Similarity NPD5305 Approved
0.6124 Remote Similarity NPD2345 Approved
0.6124 Remote Similarity NPD5306 Approved
0.6121 Remote Similarity NPD253 Approved
0.6115 Remote Similarity NPD7230 Approved
0.6115 Remote Similarity NPD7231 Approved
0.6107 Remote Similarity NPD1208 Approved
0.6107 Remote Similarity NPD1211 Clinical (unspecified phase)
0.6103 Remote Similarity NPD2313 Discontinued
0.6094 Remote Similarity NPD1759 Phase 1
0.6093 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6091 Remote Similarity NPD650 Approved
0.609 Remote Similarity NPD1470 Approved
0.6087 Remote Similarity NPD447 Suspended
0.6077 Remote Similarity NPD4135 Approved
0.6077 Remote Similarity NPD4106 Approved
0.6077 Remote Similarity NPD4136 Approved
0.6071 Remote Similarity NPD3672 Approved
0.6071 Remote Similarity NPD3673 Approved
0.6056 Remote Similarity NPD5958 Discontinued
0.6056 Remote Similarity NPD4534 Discontinued
0.6056 Remote Similarity NPD167 Phase 2
0.6056 Remote Similarity NPD168 Phase 1
0.6055 Remote Similarity NPD111 Approved
0.6055 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6045 Remote Similarity NPD4980 Approved
0.6043 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6042 Remote Similarity NPD3973 Approved
0.6031 Remote Similarity NPD4807 Approved
0.6031 Remote Similarity NPD4806 Approved
0.6027 Remote Similarity NPD1578 Phase 2
0.6016 Remote Similarity NPD2067 Discontinued
0.6015 Remote Similarity NPD2199 Approved
0.6015 Remote Similarity NPD4382 Clinical (unspecified phase)
0.6015 Remote Similarity NPD2198 Approved
0.6 Remote Similarity NPD4589 Approved
0.6 Remote Similarity NPD9279 Approved
0.5985 Remote Similarity NPD1481 Phase 2
0.5985 Remote Similarity NPD1077 Clinical (unspecified phase)
0.5971 Remote Similarity NPD4068 Approved

Structure

External Identifiers

PubChem CID   8374
ChEMBL   CHEMBL115243
ZINC  

Physicochemical Properties

Molecular Weight:  156.00
ALogP:  0.5045
MLogP:  1.9
XLogP:  2.34
# Rotatable Bonds:  3
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  10

Download Data

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