Natural Product: NPC301702

Natural Product ID:  NPC301702
Common Name:   Aminosalicylic Acid
IUPAC Name:   4-amino-2-hydroxybenzoic acid
Synonyms:   4-aminosalicylic acid; Aminosalicylic acid; Granupas; Para-Aminosalicylic Acid; Parasal; PAS; Paser; Paskalium; Rezipas; Teebacin
Molecular Formula:   C7H7NO3
Standard InCHIKey:  WUBBRNOQWQTFEX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
Canonical SMILES:  Nc1ccc(c(c1)O)C(=O)O
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
NPO19694 Senecio scandens Species Asteraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Kd = 1200000 nM 15214773
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Kd = 1200000 nM 13678400
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Kd = 1200000 nM 12877578
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition = 92 % 15225698
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 12300 nM 17210775
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC > 128000 nM 17210775
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens IC50 = 130000 nM 18819808
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens IC50 = 750000 nM 18819808
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 240000 nM 18819808
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 1230000 nM 18819808
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 70.51 mU 18472188
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 5 ug/ml 9428161
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 0.03 ug/ml 19524330
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 0.16 ug/ml 19828313
NPT2 Others Unspecified MIC = 50 ug/ml 19828313
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 100 ug/ml 19828313
NPT602 Organism Mycobacterium smegmatis Mycobacterium smegmatis MIC = 1000 ug/ml 19828313
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100 ug/ml 19828313
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 19828313
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 17782.8 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 3548.1 nM PubChem BioAssay data set
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 62500 nM 20937542
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 32000 nM 20937542
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 125000 nM 20937542
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 125000 nM 20937542
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 1000000 nM 20937542
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC > 1000000 nM 20937542
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 32000 nM 20937542
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 500000 nM 20937542
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC > 128 ug/ml 19237648
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 64 ug/ml 19237648
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC > 8 ug/ml 19237648
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC < 64 ug/ml 19237648
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC < 128 ug/ml 19237648
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens Inhibition = -1 % 21189019
NPT69 Individual Protein Matrix metalloproteinase-1 Homo sapiens Inhibition = -7 % 21189019
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens Inhibition = 4 % 21189019
NPT569 Individual Protein Matrix metalloproteinase 8 Homo sapiens Inhibition = 8 % 21189019
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens Inhibition = 60 % 21189019
NPT270 Individual Protein Nitric oxide synthase, inducible Mus musculus Inhibition = 8 % 21189019
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Inhibition = 30 % 21189019
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Inhibition = 24 % 21189019
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 55 % 21189019
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 0.0005 ug/ml 20805400
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 0.0005 ug/ml 20805400
NPT2 Others Unspecified Potency 4.1 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 0.2 ug/ml 21855181
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 0.25 ug/ml 21855181
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 32000 nM 21855181
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 125000 nM 21855181
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 125000 nM 21855181
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 1000000 nM 21855181
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC > 1000000 nM 21855181
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 32000 nM 21855181
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 500000 nM 21855181
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 4256.2 nM PubChem BioAssay data set
NPT154 Individual Protein Mothers against decapentaplegic homolog 3 Homo sapiens Potency 398.1 nM PubChem BioAssay data set
NPT703 Individual Protein UDP-glucuronosyltransferase 1-9 Homo sapiens Activity = 50 pm/min/mg 10836148
NPT31 Individual Protein Cyclooxygenase-2 Homo sapiens Inhibition = 33 % 24088053
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 500000 nM 24369840
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 125000 nM 24369840
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 32000 nM 24369840
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC > 1000000 nM 24369840
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 1000000 nM 24369840
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 125000 nM 24369840
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 32000 nM 24369840
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 62500 nM 24369840
NPT19 Organism Escherichia coli Escherichia coli ID50 = 0.025 umol/ml 321779
NPT2 Others Unspecified Activity = 2.94 10'-10mol/min 321779
NPT2 Others Unspecified Inhibition = 10 % 24953953
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 32000 nM 24953953
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 32000 nM 24953953
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 62500 nM 24953953
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 125000 nM 24953953
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 125000 nM 24953953
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 500000 nM 24953953
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 1000000 nM 24953953
NPT65 Cell Line HepG2 Homo sapiens IC50 = 2240000 nM 24953953
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC > 1000000 nM 24953953
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 62500 nM 25593095
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 32000 nM 25593095
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 125000 nM 25593095
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 125000 nM 25593095
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 1000000 nM 25593095
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC > 1000000 nM 25593095
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 32000 nM 25593095
NPT1828 Organism Mycobacterium kansasii Mycobacterium kansasii MIC = 500000 nM 25593095
NPT65 Cell Line HepG2 Homo sapiens IC50 = 2240000 nM 25593095
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 0.82 U/g 26717200
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC = 0.3 ug/ml 27072906
NPT1513 Organism Mycobacterium avium Mycobacterium avium MIC = 32 ug/ml 27072906
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC > 250 ug/ml 27072906
NPT32 Organism Mus musculus Mus musculus LD50 = 4000 mg/kg 27072906

  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 NPC301702 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
0.8841 High Similarity NPC316574
0.8582 High Similarity NPC181526
0.8485 Intermediate Similarity NPC150323
0.8095 Intermediate Similarity NPC323798
0.7838 Intermediate Similarity NPC13696
0.7823 Intermediate Similarity NPC314252
0.7815 Intermediate Similarity NPC315829
0.781 Intermediate Similarity NPC130931
0.7794 Intermediate Similarity NPC229353
0.7786 Intermediate Similarity NPC205946
0.773 Intermediate Similarity NPC314278
0.7687 Intermediate Similarity NPC43218
0.7593 Intermediate Similarity NPC471778
0.7576 Intermediate Similarity NPC100551
0.7517 Intermediate Similarity NPC314098
0.75 Intermediate Similarity NPC199737
0.7467 Intermediate Similarity NPC242933
0.7453 Intermediate Similarity NPC204867
0.7391 Intermediate Similarity NPC475983
0.7319 Intermediate Similarity NPC160179
0.7273 Intermediate Similarity NPC256838
0.7262 Intermediate Similarity NPC9475
0.7229 Intermediate Similarity NPC112336
0.7229 Intermediate Similarity NPC474814
0.7194 Intermediate Similarity NPC222982
0.7176 Intermediate Similarity NPC298320
0.7174 Intermediate Similarity NPC223004
0.7174 Intermediate Similarity NPC211421
0.7152 Intermediate Similarity NPC241392
0.7143 Intermediate Similarity NPC312800
0.7143 Intermediate Similarity NPC128825
0.7133 Intermediate Similarity NPC253476
0.7107 Intermediate Similarity NPC264400
0.7103 Intermediate Similarity NPC226794
0.7059 Intermediate Similarity NPC319645
0.7042 Intermediate Similarity NPC94637
0.7042 Intermediate Similarity NPC241089
0.7027 Intermediate Similarity NPC122235
0.6993 Remote Similarity NPC159722
0.6993 Remote Similarity NPC90522
0.6993 Remote Similarity NPC328459
0.6985 Remote Similarity NPC303264
0.6972 Remote Similarity NPC125252
0.6948 Remote Similarity NPC181527
0.6944 Remote Similarity NPC260837
0.6944 Remote Similarity NPC72977
0.6944 Remote Similarity NPC233282
0.6934 Remote Similarity NPC224584
0.6911 Remote Similarity NPC3207
0.6903 Remote Similarity NPC238108
0.6875 Remote Similarity NPC233165
0.6875 Remote Similarity NPC184579
0.6859 Remote Similarity NPC43477
0.6788 Remote Similarity NPC187913
0.6783 Remote Similarity NPC106551
0.6783 Remote Similarity NPC188867
0.6783 Remote Similarity NPC281686
0.6781 Remote Similarity NPC179092
0.6781 Remote Similarity NPC159760
0.6781 Remote Similarity NPC26433
0.6781 Remote Similarity NPC301987
0.6781 Remote Similarity NPC115188
0.6781 Remote Similarity NPC244994
0.6781 Remote Similarity NPC292665
0.6781 Remote Similarity NPC178395
0.6781 Remote Similarity NPC222876
0.6781 Remote Similarity NPC35856
0.6781 Remote Similarity NPC272454
0.678 Remote Similarity NPC150308
0.6778 Remote Similarity NPC206109
0.6778 Remote Similarity NPC114039
0.6765 Remote Similarity NPC38262
0.6761 Remote Similarity NPC276111
0.6761 Remote Similarity NPC118288
0.6758 Remote Similarity NPC303214
0.6757 Remote Similarity NPC232600
0.675 Remote Similarity NPC146370
0.6739 Remote Similarity NPC29883
0.6738 Remote Similarity NPC301292
0.6738 Remote Similarity NPC313112
0.6735 Remote Similarity NPC198336
0.6731 Remote Similarity NPC469828
0.6728 Remote Similarity NPC144691
0.672 Remote Similarity NPC288759
0.672 Remote Similarity NPC86834
0.672 Remote Similarity NPC210828
0.6714 Remote Similarity NPC9336
0.6709 Remote Similarity NPC472241
0.669 Remote Similarity NPC283844
0.6689 Remote Similarity NPC283514
0.6689 Remote Similarity NPC311219
0.6689 Remote Similarity NPC244351
0.6688 Remote Similarity NPC472243
0.6686 Remote Similarity NPC98416
0.6684 Remote Similarity NPC174760
0.6667 Remote Similarity NPC184658
0.6667 Remote Similarity NPC179468
0.6667 Remote Similarity NPC166667
0.6667 Remote Similarity NPC70201
0.6667 Remote Similarity NPC4164
0.6646 Remote Similarity NPC259678
0.6645 Remote Similarity NPC173295
0.6644 Remote Similarity NPC239697
0.6644 Remote Similarity NPC161617
0.6643 Remote Similarity NPC163154
0.663 Remote Similarity NPC203628
0.6624 Remote Similarity NPC238412
0.6623 Remote Similarity NPC58827
0.6623 Remote Similarity NPC95309
0.6623 Remote Similarity NPC72473
0.6623 Remote Similarity NPC307437
0.6621 Remote Similarity NPC121259
0.6619 Remote Similarity NPC141523
0.6615 Remote Similarity NPC23294
0.6608 Remote Similarity NPC470971
0.66 Remote Similarity NPC91475
0.66 Remote Similarity NPC236189
0.66 Remote Similarity NPC470343
0.66 Remote Similarity NPC265910
0.66 Remote Similarity NPC472244
0.6597 Remote Similarity NPC161304
0.6597 Remote Similarity NPC188907
0.6597 Remote Similarity NPC240163
0.6584 Remote Similarity NPC472242
0.6579 Remote Similarity NPC71525
0.6573 Remote Similarity NPC98543
0.6569 Remote Similarity NPC13426
0.6569 Remote Similarity NPC311660
0.6562 Remote Similarity NPC303951
0.6556 Remote Similarity NPC240744
0.6556 Remote Similarity NPC167055
0.6554 Remote Similarity NPC297186
0.6554 Remote Similarity NPC165197
0.6552 Remote Similarity NPC108288
0.6545 Remote Similarity NPC39679
0.6538 Remote Similarity NPC28510
0.6536 Remote Similarity NPC95537
0.6536 Remote Similarity NPC477432
0.6536 Remote Similarity NPC132751
0.6534 Remote Similarity NPC474815
0.6533 Remote Similarity NPC477153
0.6531 Remote Similarity NPC188814
0.6531 Remote Similarity NPC195262
0.6513 Remote Similarity NPC321561
0.6513 Remote Similarity NPC116238
0.651 Remote Similarity NPC115159
0.651 Remote Similarity NPC73532
0.651 Remote Similarity NPC156139
0.651 Remote Similarity NPC224273
0.651 Remote Similarity NPC267552
0.651 Remote Similarity NPC25168
0.651 Remote Similarity NPC45438
0.651 Remote Similarity NPC19174
0.651 Remote Similarity NPC143427
0.6507 Remote Similarity NPC269414
0.6507 Remote Similarity NPC230349
0.6507 Remote Similarity NPC217423
0.6507 Remote Similarity NPC160199
0.6507 Remote Similarity NPC28169
0.6493 Remote Similarity NPC246679
0.649 Remote Similarity NPC6888
0.6486 Remote Similarity NPC170333
0.6484 Remote Similarity NPC474059
0.6474 Remote Similarity NPC133156
0.6471 Remote Similarity NPC161593
0.6471 Remote Similarity NPC16031
0.6471 Remote Similarity NPC145888
0.6471 Remote Similarity NPC214620
0.6471 Remote Similarity NPC181715
0.6467 Remote Similarity NPC297193
0.6467 Remote Similarity NPC133909
0.6467 Remote Similarity NPC309765
0.6467 Remote Similarity NPC32032
0.6463 Remote Similarity NPC184527
0.6463 Remote Similarity NPC317784
0.6463 Remote Similarity NPC474890
0.6463 Remote Similarity NPC41567
0.6463 Remote Similarity NPC40649
0.6463 Remote Similarity NPC273282
0.6463 Remote Similarity NPC161943
0.6463 Remote Similarity NPC209486
0.6463 Remote Similarity NPC142638
0.6455 Remote Similarity NPC15987
0.6452 Remote Similarity NPC31539
0.6452 Remote Similarity NPC307732
0.6452 Remote Similarity NPC42292
0.6447 Remote Similarity NPC262671
0.6447 Remote Similarity NPC287473
0.6447 Remote Similarity NPC201728
0.6447 Remote Similarity NPC322433
0.6447 Remote Similarity NPC169402
0.6441 Remote Similarity NPC472331
0.6441 Remote Similarity NPC126515
0.6441 Remote Similarity NPC274002
0.6438 Remote Similarity NPC477453
0.6434 Remote Similarity NPC114682
0.6423 Remote Similarity NPC52472
0.642 Remote Similarity NPC297322
0.6414 Remote Similarity NPC247803
0.6414 Remote Similarity NPC81808

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC301702 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
1.0 High Similarity NPD75 Approved
1.0 High Similarity NPD9277 Approved
0.9924 High Similarity NPD9274 Approved
0.9924 High Similarity NPD9276 Approved
0.9924 High Similarity NPD9275 Approved
0.9924 High Similarity NPD9278 Suspended
0.8859 High Similarity NPD955 Approved
0.8841 High Similarity NPD9279 Approved
0.8485 Intermediate Similarity NPD9272 Approved
0.8176 Intermediate Similarity NPD1543 Discontinued
0.8095 Intermediate Similarity NPD1196 Approved
0.8027 Intermediate Similarity NPD1195 Approved
0.7937 Intermediate Similarity NPD2248 Approved
0.7937 Intermediate Similarity NPD2246 Approved
0.7857 Intermediate Similarity NPD3684 Discontinued
0.784 Intermediate Similarity NPD2361 Approved
0.7778 Intermediate Similarity NPD2359 Approved
0.7606 Intermediate Similarity NPD553 Approved
0.7606 Intermediate Similarity NPD552 Approved
0.7606 Intermediate Similarity NPD9567 Approved
0.7576 Intermediate Similarity NPD74 Approved
0.7576 Intermediate Similarity NPD9266 Approved
0.7543 Intermediate Similarity NPD4668 Phase 2
0.75 Intermediate Similarity NPD9263 Approved
0.75 Intermediate Similarity NPD9267 Approved
0.75 Intermediate Similarity NPD9264 Approved
0.7485 Intermediate Similarity NPD1839 Phase 1
0.7439 Intermediate Similarity NPD1913 Phase 1
0.7372 Intermediate Similarity NPD9509 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD2366 Approved
0.725 Intermediate Similarity NPD2672 Discontinued
0.7197 Intermediate Similarity NPD9261 Approved
0.7195 Intermediate Similarity NPD1168 Approved
0.7171 Intermediate Similarity NPD3170 Approved
0.7143 Intermediate Similarity NPD9493 Approved
0.7122 Intermediate Similarity NPD9281 Approved
0.7089 Intermediate Similarity NPD4161 Discontinued
0.7076 Intermediate Similarity NPD5445 Approved
0.7059 Intermediate Similarity NPD1109 Approved
0.7059 Intermediate Similarity NPD1110 Approved
0.7045 Intermediate Similarity NPD5928 Phase 1
0.6966 Remote Similarity NPD5937 Approved
0.6964 Remote Similarity NPD1161 Approved
0.6905 Remote Similarity NPD2680 Approved
0.6905 Remote Similarity NPD2681 Approved
0.6897 Remote Similarity NPD3253 Clinical (unspecified phase)
0.686 Remote Similarity NPD1170 Approved
0.6839 Remote Similarity NPD5637 Discontinued
0.6833 Remote Similarity NPD4539 Phase 1
0.6831 Remote Similarity NPD255 Approved
0.6831 Remote Similarity NPD256 Approved
0.6815 Remote Similarity NPD1189 Approved
0.6788 Remote Similarity NPD212 Discontinued
0.6786 Remote Similarity NPD3252 Approved
0.6786 Remote Similarity NPD9508 Approved
0.6783 Remote Similarity NPD9568 Approved
0.6774 Remote Similarity NPD2670 Approved
0.6772 Remote Similarity NPD1625 Approved
0.677 Remote Similarity NPD4888 Discontinued
0.6739 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6738 Remote Similarity NPD181 Approved
0.6732 Remote Similarity NPD520 Approved
0.6708 Remote Similarity NPD1801 Approved
0.6708 Remote Similarity NPD1802 Approved
0.6707 Remote Similarity NPD4311 Approved
0.6703 Remote Similarity NPD2339 Phase 3
0.6689 Remote Similarity NPD9717 Approved
0.6686 Remote Similarity NPD1220 Phase 1
0.6667 Remote Similarity NPD9693 Approved
0.6667 Remote Similarity NPD7528 Approved
0.6667 Remote Similarity NPD1203 Approved
0.6667 Remote Similarity NPD1164 Approved
0.6667 Remote Similarity NPD9692 Approved
0.6647 Remote Similarity NPD3251 Approved
0.6645 Remote Similarity NPD9694 Discovery
0.6606 Remote Similarity NPD3229 Phase 2
0.66 Remote Similarity NPD1574 Approved
0.6588 Remote Similarity NPD5430 Discontinued
0.6575 Remote Similarity NPD1759 Phase 1
0.6571 Remote Similarity NPD1221 Approved
0.6552 Remote Similarity NPD405 Clinical (unspecified phase)
0.6541 Remote Similarity NPD9477 Approved
0.6541 Remote Similarity NPD4979 Clinical (unspecified phase)
0.6519 Remote Similarity NPD1626 Approved
0.6513 Remote Similarity NPD257 Approved
0.6513 Remote Similarity NPD258 Approved
0.6512 Remote Similarity NPD2821 Approved
0.6507 Remote Similarity NPD1758 Phase 1
0.6506 Remote Similarity NPD5086 Approved
0.6503 Remote Similarity NPD4302 Clinical (unspecified phase)
0.6488 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6485 Remote Similarity NPD1230 Approved
0.6485 Remote Similarity NPD711 Discontinued
0.6477 Remote Similarity NPD3965 Phase 1
0.6471 Remote Similarity NPD9569 Approved
0.6467 Remote Similarity NPD1092 Approved
0.6467 Remote Similarity NPD1093 Approved
0.6457 Remote Similarity NPD5466 Approved
0.6453 Remote Similarity NPD1559 Discontinued
0.6447 Remote Similarity NPD9540 Approved
0.6409 Remote Similarity NPD3154 Approved
0.6409 Remote Similarity NPD3153 Approved
0.6407 Remote Similarity NPD2360 Approved
0.6398 Remote Similarity NPD4931 Phase 2
0.6387 Remote Similarity NPD4465 Phase 2
0.6387 Remote Similarity NPD4467 Phase 2
0.6375 Remote Similarity NPD9570 Approved
0.6368 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9256 Approved
0.6364 Remote Similarity NPD9258 Approved
0.6352 Remote Similarity NPD6636 Phase 3
0.6346 Remote Similarity NPD411 Approved
0.6339 Remote Similarity NPD1276 Clinical (unspecified phase)
0.6333 Remote Similarity NPD1079 Discontinued
0.6325 Remote Similarity NPD2737 Clinical (unspecified phase)
0.6322 Remote Similarity NPD2249 Approved
0.6322 Remote Similarity NPD2247 Approved
0.6316 Remote Similarity NPD182 Clinical (unspecified phase)
0.6316 Remote Similarity NPD9541 Approved
0.6316 Remote Similarity NPD9539 Approved
0.6306 Remote Similarity NPD259 Phase 1
0.6302 Remote Similarity NPD3298 Approved
0.6302 Remote Similarity NPD1294 Discontinued
0.6296 Remote Similarity NPD6414 Clinical (unspecified phase)
0.6292 Remote Similarity NPD3793 Phase 3
0.6284 Remote Similarity NPD313 Approved
0.6282 Remote Similarity NPD9536 Phase 1
0.6282 Remote Similarity NPD9537 Phase 1
0.6277 Remote Similarity NPD9273 Approved
0.6277 Remote Similarity NPD6161 Approved
0.6277 Remote Similarity NPD6162 Approved
0.6272 Remote Similarity NPD1514 Discontinued
0.6271 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6266 Remote Similarity NPD825 Approved
0.6266 Remote Similarity NPD826 Approved
0.625 Remote Similarity NPD1898 Discontinued
0.6242 Remote Similarity NPD9471 Clinical (unspecified phase)
0.6242 Remote Similarity NPD9545 Approved
0.6236 Remote Similarity NPD1544 Phase 1
0.6234 Remote Similarity NPD1593 Approved
0.6226 Remote Similarity NPD447 Suspended
0.6226 Remote Similarity NPD275 Approved
0.6226 Remote Similarity NPD555 Phase 2
0.6226 Remote Similarity NPD274 Approved
0.6219 Remote Similarity NPD5496 Approved
0.6218 Remote Similarity NPD6138 Clinical (unspecified phase)
0.6216 Remote Similarity NPD4258 Approved
0.6216 Remote Similarity NPD4259 Approved
0.6213 Remote Similarity NPD3455 Phase 2
0.6211 Remote Similarity NPD6874 Approved
0.6211 Remote Similarity NPD3297 Approved
0.6198 Remote Similarity NPD956 Clinical (unspecified phase)
0.6194 Remote Similarity NPD698 Approved
0.6194 Remote Similarity NPD701 Approved
0.6194 Remote Similarity NPD1019 Discontinued
0.6185 Remote Similarity NPD1210 Approved
0.6184 Remote Similarity NPD1201 Approved
0.6173 Remote Similarity NPD2935 Discontinued
0.6173 Remote Similarity NPD1551 Phase 2
0.6171 Remote Similarity NPD1411 Approved
0.6171 Remote Similarity NPD1414 Approved
0.6171 Remote Similarity NPD1413 Approved
0.6169 Remote Similarity NPD196 Phase 1
0.6158 Remote Similarity NPD1165 Clinical (unspecified phase)
0.6158 Remote Similarity NPD3776 Discontinued
0.6158 Remote Similarity NPD5197 Approved
0.6158 Remote Similarity NPD5196 Approved
0.6158 Remote Similarity NPD5194 Approved
0.6154 Remote Similarity NPD9507 Approved
0.6149 Remote Similarity NPD1532 Approved
0.6144 Remote Similarity NPD9269 Phase 2
0.6142 Remote Similarity NPD648 Clinical (unspecified phase)
0.614 Remote Similarity NPD2469 Approved
0.614 Remote Similarity NPD2468 Approved
0.614 Remote Similarity NPD2836 Approved
0.6138 Remote Similarity NPD5411 Discontinued
0.6138 Remote Similarity NPD3964 Approved
0.6138 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6136 Remote Similarity NPD2037 Approved
0.6129 Remote Similarity NPD1470 Approved
0.6122 Remote Similarity NPD4082 Approved
0.612 Remote Similarity NPD7546 Discontinued
0.6114 Remote Similarity NPD7071 Clinical (unspecified phase)
0.6111 Remote Similarity NPD3792 Approved
0.6111 Remote Similarity NPD1169 Approved
0.6111 Remote Similarity NPD476 Approved
0.6105 Remote Similarity NPD5195 Discontinued
0.6104 Remote Similarity NPD661 Approved
0.6104 Remote Similarity NPD655 Approved
0.6104 Remote Similarity NPD657 Approved
0.6104 Remote Similarity NPD660 Approved
0.6099 Remote Similarity NPD6104 Discontinued
0.6098 Remote Similarity NPD2365 Approved
0.6098 Remote Similarity NPD168 Phase 1
0.6098 Remote Similarity NPD167 Phase 2
0.6093 Remote Similarity NPD9268 Approved
0.6092 Remote Similarity NPD9487 Approved
0.6082 Remote Similarity NPD6480 Clinical (unspecified phase)
0.6077 Remote Similarity NPD3782 Discontinued
0.6076 Remote Similarity NPD3136 Phase 2

Structure

External Identifiers

PubChem CID   4649
ChEMBL   CHEMBL1169
ZINC  

Physicochemical Properties

Molecular Weight:  153.04
ALogP:  -1.45
MLogP:  1.79
XLogP:  1.023
# Rotatable Bonds:  4
Polar Surface Area:  83.55
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  11

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Biological Activities  
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