Natural Product: NPC85443

Natural Product ID:  NPC85443
Common Name:   Dipicolinic Acid
IUPAC Name:   pyridine-2,6-dicarboxylic acid
Synonyms:   Dipicolinic Acid
Molecular Formula:   C7H5NO4
Standard InCHIKey:  WJJMNDUMQPNECX-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
Canonical SMILES:  OC(=O)c1cccc(n1)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
NPO4977.1 Streptomyces globisporus 0234 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3989 Individual Protein Beta-lactamase L1 Stenotrophomonas maltophilia IC50 = 7800 nM 14980686
NPT3990 Individual Protein Beta-lactamase 2 Bacillus cereus IC50 = 21800 nM 14980686
NPT3581 Individual Protein Dihydrodipicolinate synthase Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) IC50 = 400000 nM 10.1016/0960-894X(94)85023-2
NPT19 Organism Escherichia coli Escherichia coli Ki = 900000 nM 7241506
NPT3991 Individual Protein Dihydrodipicolinate synthase-like, mitochondrial Homo sapiens Ki = 11000000 nM 18077163
NPT2 Others Unspecified Inhibition = 76 % 18054225
NPT3992 Individual Protein Dihydrodipicolinate synthase Bacillus anthracis Inhibition = 80 % 18054225
NPT3993 Individual Protein Dihydrodipicolinate synthase Mycobacterium tuberculosis Inhibition = 75 % 18054225
NPT2 Others Unspecified Inhibition = 67 % 18054225
NPT2 Others Unspecified Inhibition = 1 % 18054225
NPT3994 Individual Protein Metallo beta-lactamase Pseudomonas aeruginosa Activity = 2 % 17307979
NPT3994 Individual Protein Metallo beta-lactamase Pseudomonas aeruginosa Activity = 72 % 17307979
NPT2 Others Unspecified Activity = 95 % 17307979
NPT2 Others Unspecified Activity = 96 % 17307979
NPT2 Others Unspecified Activity = 88 % 17307979
NPT2 Others Unspecified Activity = 12 % 17307979
NPT3989 Individual Protein Beta-lactamase L1 Stenotrophomonas maltophilia Activity = 92 % 17307979
NPT2 Others Unspecified Activity = 77 % 17307979
NPT2 Others Unspecified IC50 = 250000 nM 18942826
NPT2 Others Unspecified IC50 = 120000 nM 18942826
NPT2 Others Unspecified Ki = 3000 nM 17470648
NPT3995 Individual Protein Beta-lactamase VIM-1 Pseudomonas aeruginosa IC50 = 41600 nM 18644957
NPT3996 Individual Protein Class B carbapenemase VIM-13 Pseudomonas aeruginosa IC50 = 48000 nM 18644957
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 8912.5 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 1584.9 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 1412.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 36.6 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 3981.1 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 1000 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 28183.8 nM PubChem BioAssay data set
NPT56 Individual Protein Beta-lactamase AmpC Escherichia coli K-12 Potency = 2818.4 nM PubChem BioAssay data set
NPT270 Individual Protein Nitric oxide synthase, inducible Mus musculus Inhibition = 20 % 21189019
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Inhibition = -7 % 21189019
NPT69 Individual Protein Matrix metalloproteinase-1 Homo sapiens Inhibition = 7 % 21189019
NPT569 Individual Protein Matrix metalloproteinase 8 Homo sapiens Inhibition = 17 % 21189019
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens Inhibition = 54 % 21189019
NPT568 Individual Protein Matrix metalloproteinase-2 Homo sapiens Inhibition = -6 % 21189019
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Inhibition = 83 % 21189019
NPT570 Individual Protein Arachidonate 5-lipoxygenase Homo sapiens Inhibition = 31 % 21189019
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 99 % 21189019
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 794.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Ki = 92000 nM 24507924
NPT2 Others Unspecified Ki = 2700000 nM 24507924
NPT2 Others Unspecified Potency 436.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 7800 nM 24583353
NPT2 Others Unspecified IC50 = 21800 nM 24583353

  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 NPC85443 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
0.9007 High Similarity NPC302159
0.8784 High Similarity NPC322644
0.8553 High Similarity NPC41717
0.8153 Intermediate Similarity NPC273532
0.8025 Intermediate Similarity NPC470894
0.8 Intermediate Similarity NPC13432
0.7986 Intermediate Similarity NPC328029
0.7927 Intermediate Similarity NPC207851
0.7925 Intermediate Similarity NPC253810
0.7815 Intermediate Similarity NPC257142
0.7806 Intermediate Similarity NPC116573
0.7798 Intermediate Similarity NPC144381
0.7792 Intermediate Similarity NPC33229
0.7662 Intermediate Similarity NPC284348
0.7662 Intermediate Similarity NPC109158
0.7607 Intermediate Similarity NPC303225
0.7597 Intermediate Similarity NPC52110
0.7576 Intermediate Similarity NPC256268
0.7568 Intermediate Similarity NPC114310
0.7558 Intermediate Similarity NPC230403
0.7515 Intermediate Similarity NPC219848
0.75 Intermediate Similarity NPC312860
0.7451 Intermediate Similarity NPC167400
0.7429 Intermediate Similarity NPC141454
0.7386 Intermediate Similarity NPC248782
0.7379 Intermediate Similarity NPC313823
0.7337 Intermediate Similarity NPC243058
0.7294 Intermediate Similarity NPC203635
0.7263 Intermediate Similarity NPC98864
0.7222 Intermediate Similarity NPC57398
0.7209 Intermediate Similarity NPC194040
0.7209 Intermediate Similarity NPC90415
0.7208 Intermediate Similarity NPC470394
0.7208 Intermediate Similarity NPC470404
0.7208 Intermediate Similarity NPC470403
0.7182 Intermediate Similarity NPC165599
0.7181 Intermediate Similarity NPC322488
0.7158 Intermediate Similarity NPC244741
0.7151 Intermediate Similarity NPC241025
0.7143 Intermediate Similarity NPC84347
0.7143 Intermediate Similarity NPC286195
0.7125 Intermediate Similarity NPC298288
0.7125 Intermediate Similarity NPC263455
0.7115 Intermediate Similarity NPC470395
0.7086 Intermediate Similarity NPC469489
0.7081 Intermediate Similarity NPC142688
0.7069 Intermediate Similarity NPC206186
0.7051 Intermediate Similarity NPC230085
0.7051 Intermediate Similarity NPC159630
0.7039 Intermediate Similarity NPC29702
0.7 Intermediate Similarity NPC472284
0.6994 Remote Similarity NPC113812
0.6983 Remote Similarity NPC77061
0.6983 Remote Similarity NPC109922
0.6971 Remote Similarity NPC278434
0.6949 Remote Similarity NPC114974
0.6932 Remote Similarity NPC221873
0.6931 Remote Similarity NPC89508
0.6927 Remote Similarity NPC135950
0.6923 Remote Similarity NPC191310
0.6918 Remote Similarity NPC112741
0.6903 Remote Similarity NPC43477
0.6894 Remote Similarity NPC153769
0.6893 Remote Similarity NPC83111
0.6882 Remote Similarity NPC321428
0.6868 Remote Similarity NPC123395
0.6868 Remote Similarity NPC103361
0.6868 Remote Similarity NPC280714
0.6864 Remote Similarity NPC302647
0.6855 Remote Similarity NPC220523
0.6851 Remote Similarity NPC90229
0.6836 Remote Similarity NPC183805
0.6823 Remote Similarity NPC312645
0.6818 Remote Similarity NPC195704
0.6818 Remote Similarity NPC64661
0.6818 Remote Similarity NPC98156
0.6818 Remote Similarity NPC200397
0.6818 Remote Similarity NPC292434
0.6818 Remote Similarity NPC167200
0.6818 Remote Similarity NPC138596
0.6818 Remote Similarity NPC14448
0.6815 Remote Similarity NPC60553
0.6813 Remote Similarity NPC474916
0.6811 Remote Similarity NPC317572
0.6809 Remote Similarity NPC325297
0.68 Remote Similarity NPC285923
0.6793 Remote Similarity NPC471944
0.6774 Remote Similarity NPC132539
0.6774 Remote Similarity NPC473239
0.6767 Remote Similarity NPC213774
0.6765 Remote Similarity NPC249614
0.6763 Remote Similarity NPC164340
0.6761 Remote Similarity NPC295158
0.6757 Remote Similarity NPC205946
0.6755 Remote Similarity NPC470280
0.675 Remote Similarity NPC161292
0.6748 Remote Similarity NPC107287
0.6738 Remote Similarity NPC472287
0.6738 Remote Similarity NPC472286
0.6737 Remote Similarity NPC82370
0.6724 Remote Similarity NPC317010
0.6705 Remote Similarity NPC320394
0.6701 Remote Similarity NPC174576
0.6685 Remote Similarity NPC45850
0.6684 Remote Similarity NPC314648
0.6667 Remote Similarity NPC311282
0.6667 Remote Similarity NPC472288
0.6667 Remote Similarity NPC282103
0.6648 Remote Similarity NPC159125
0.6648 Remote Similarity NPC146724
0.6646 Remote Similarity NPC97230
0.6646 Remote Similarity NPC302717
0.6646 Remote Similarity NPC244087
0.6646 Remote Similarity NPC205604
0.6646 Remote Similarity NPC209281
0.6646 Remote Similarity NPC74928
0.6646 Remote Similarity NPC286529
0.6646 Remote Similarity NPC3698
0.6646 Remote Similarity NPC59839
0.6646 Remote Similarity NPC48171
0.6646 Remote Similarity NPC129753
0.6646 Remote Similarity NPC77582
0.6646 Remote Similarity NPC12831
0.6646 Remote Similarity NPC169308
0.6645 Remote Similarity NPC71236
0.6645 Remote Similarity NPC314098
0.663 Remote Similarity NPC469961
0.6629 Remote Similarity NPC160381
0.6628 Remote Similarity NPC477976
0.6623 Remote Similarity NPC278451
0.6609 Remote Similarity NPC217372
0.6609 Remote Similarity NPC183662
0.6609 Remote Similarity NPC15573
0.6604 Remote Similarity NPC129412
0.6604 Remote Similarity NPC101130
0.6604 Remote Similarity NPC114033
0.6604 Remote Similarity NPC58268
0.66 Remote Similarity NPC151489
0.6584 Remote Similarity NPC259678
0.658 Remote Similarity NPC250448
0.6579 Remote Similarity NPC266249
0.6571 Remote Similarity NPC219336
0.6566 Remote Similarity NPC478141
0.6564 Remote Similarity NPC288445
0.6561 Remote Similarity NPC315638
0.6561 Remote Similarity NPC314855
0.6561 Remote Similarity NPC313796
0.6561 Remote Similarity NPC313345
0.6558 Remote Similarity NPC174421
0.6552 Remote Similarity NPC476419
0.6546 Remote Similarity NPC477979
0.6538 Remote Similarity NPC291517
0.6533 Remote Similarity NPC229893
0.6528 Remote Similarity NPC118940
0.6526 Remote Similarity NPC315545
0.6526 Remote Similarity NPC193238
0.6526 Remote Similarity NPC314297
0.6516 Remote Similarity NPC253476
0.6513 Remote Similarity NPC165370
0.6513 Remote Similarity NPC212125
0.6513 Remote Similarity NPC306397
0.651 Remote Similarity NPC123839
0.6508 Remote Similarity NPC472259
0.6507 Remote Similarity NPC229353
0.6495 Remote Similarity NPC317752
0.6489 Remote Similarity NPC328596
0.6489 Remote Similarity NPC328318
0.6488 Remote Similarity NPC80681
0.6484 Remote Similarity NPC138370
0.6478 Remote Similarity NPC280853
0.6477 Remote Similarity NPC283219
0.6477 Remote Similarity NPC67659
0.6467 Remote Similarity NPC141353
0.6464 Remote Similarity NPC44354
0.6464 Remote Similarity NPC75544
0.6455 Remote Similarity NPC476098
0.6453 Remote Similarity NPC44161
0.6443 Remote Similarity NPC318299
0.6443 Remote Similarity NPC244856
0.644 Remote Similarity NPC270918
0.6438 Remote Similarity NPC318935
0.6438 Remote Similarity NPC245657
0.6438 Remote Similarity NPC285016
0.6433 Remote Similarity NPC23215
0.6433 Remote Similarity NPC474383
0.6425 Remote Similarity NPC309845
0.6425 Remote Similarity NPC314834
0.6419 Remote Similarity NPC150323
0.6419 Remote Similarity NPC130931
0.6417 Remote Similarity NPC220408
0.6415 Remote Similarity NPC471596
0.6415 Remote Similarity NPC242933
0.6413 Remote Similarity NPC473821
0.6412 Remote Similarity NPC79911
0.641 Remote Similarity NPC20021
0.6407 Remote Similarity NPC474236
0.6407 Remote Similarity NPC209362
0.6396 Remote Similarity NPC472285
0.6392 Remote Similarity NPC220337
0.6391 Remote Similarity NPC84508

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC85443 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
0.75 Intermediate Similarity NPD1631 Approved
0.75 Intermediate Similarity NPD180 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD3178 Discontinued
0.7451 Intermediate Similarity NPD9075 Approved
0.7451 Intermediate Similarity NPD9074 Approved
0.7365 Intermediate Similarity NPD5398 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD1575 Approved
0.7317 Intermediate Similarity NPD1573 Approved
0.7312 Intermediate Similarity NPD1630 Approved
0.726 Intermediate Similarity NPD5352 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD1096 Discontinued
0.719 Intermediate Similarity NPD107 Approved
0.711 Intermediate Similarity NPD3315 Phase 3
0.7091 Intermediate Similarity NPD4554 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD1783 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1587 Approved
0.7059 Intermediate Similarity NPD9076 Clinical (unspecified phase)
0.697 Remote Similarity NPD5088 Discontinued
0.6948 Remote Similarity NPD203 Clinical (unspecified phase)
0.6927 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4805 Approved
0.6919 Remote Similarity NPD2715 Clinical (unspecified phase)
0.6918 Remote Similarity NPD9271 Approved
0.6882 Remote Similarity NPD1586 Approved
0.6879 Remote Similarity NPD3525 Discontinued
0.6829 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6829 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6829 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6815 Remote Similarity NPD5020 Approved
0.681 Remote Similarity NPD5257 Clinical (unspecified phase)
0.68 Remote Similarity NPD721 Approved
0.6795 Remote Similarity NPD4804 Approved
0.6784 Remote Similarity NPD4736 Clinical (unspecified phase)
0.678 Remote Similarity NPD4948 Discontinued
0.6774 Remote Similarity NPD2721 Clinical (unspecified phase)
0.6763 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6754 Remote Similarity NPD3243 Approved
0.6737 Remote Similarity NPD7703 Clinical (unspecified phase)
0.6731 Remote Similarity NPD2896 Discontinued
0.6726 Remote Similarity NPD1568 Clinical (unspecified phase)
0.6724 Remote Similarity NPD6452 Discontinued
0.6721 Remote Similarity NPD772 Phase 3
0.6667 Remote Similarity NPD2779 Approved
0.6649 Remote Similarity NPD3779 Clinical (unspecified phase)
0.6649 Remote Similarity NPD5416 Discontinued
0.6647 Remote Similarity NPD2844 Phase 3
0.663 Remote Similarity NPD9243 Approved
0.663 Remote Similarity NPD6665 Discontinued
0.6629 Remote Similarity NPD1643 Phase 3
0.6627 Remote Similarity NPD820 Phase 3
0.6612 Remote Similarity NPD5512 Phase 3
0.6609 Remote Similarity NPD6642 Approved
0.6609 Remote Similarity NPD6641 Approved
0.659 Remote Similarity NPD158 Discontinued
0.6587 Remote Similarity NPD5255 Approved
0.6587 Remote Similarity NPD604 Clinical (unspecified phase)
0.6585 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6568 Remote Similarity NPD863 Approved
0.6568 Remote Similarity NPD861 Approved
0.6568 Remote Similarity NPD862 Approved
0.6546 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6546 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6546 Remote Similarity NPD4667 Clinical (unspecified phase)
0.6532 Remote Similarity NPD43 Approved
0.6532 Remote Similarity NPD6183 Clinical (unspecified phase)
0.6532 Remote Similarity NPD6182 Approved
0.6531 Remote Similarity NPD7395 Discontinued
0.6528 Remote Similarity NPD5866 Approved
0.6513 Remote Similarity NPD9284 Approved
0.6513 Remote Similarity NPD9080 Approved
0.6513 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6505 Remote Similarity NPD2778 Approved
0.6485 Remote Similarity NPD9343 Clinical (unspecified phase)
0.6485 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6485 Remote Similarity NPD6158 Phase 2
0.6485 Remote Similarity NPD2882 Phase 1
0.6471 Remote Similarity NPD1095 Clinical (unspecified phase)
0.6462 Remote Similarity NPD1638 Discovery
0.6456 Remote Similarity NPD9506 Approved
0.6455 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6444 Remote Similarity NPD5809 Phase 3
0.6443 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6438 Remote Similarity NPD1189 Approved
0.6436 Remote Similarity NPD7727 Phase 2
0.6429 Remote Similarity NPD5316 Approved
0.6425 Remote Similarity NPD648 Clinical (unspecified phase)
0.6421 Remote Similarity NPD6323 Clinical (unspecified phase)
0.6421 Remote Similarity NPD6138 Clinical (unspecified phase)
0.6421 Remote Similarity NPD5901 Discontinued
0.6419 Remote Similarity NPD9272 Approved
0.6417 Remote Similarity NPD1499 Phase 3
0.6413 Remote Similarity NPD1173 Approved
0.6398 Remote Similarity NPD5003 Discontinued
0.6398 Remote Similarity NPD1592 Phase 3
0.6398 Remote Similarity NPD1625 Approved
0.6393 Remote Similarity NPD2336 Approved
0.6379 Remote Similarity NPD485 Clinical (unspecified phase)
0.6379 Remote Similarity NPD6739 Clinical (unspecified phase)
0.6376 Remote Similarity NPD9693 Approved
0.6376 Remote Similarity NPD9692 Approved
0.6369 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6368 Remote Similarity NPD6752 Phase 1
0.6368 Remote Similarity NPD6753 Phase 1
0.6364 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6349 Remote Similarity NPD7817 Phase 1
0.6348 Remote Similarity NPD9510 Approved
0.6343 Remote Similarity NPD1037 Clinical (unspecified phase)
0.6343 Remote Similarity NPD750 Phase 2
0.6339 Remote Similarity NPD2565 Phase 2
0.6339 Remote Similarity NPD3321 Discontinued
0.6339 Remote Similarity NPD2564 Approved
0.6332 Remote Similarity NPD6974 Phase 3
0.6327 Remote Similarity NPD3794 Approved
0.6327 Remote Similarity NPD3795 Approved
0.6324 Remote Similarity NPD4529 Approved
0.6324 Remote Similarity NPD4528 Approved
0.6324 Remote Similarity NPD4526 Approved
0.6319 Remote Similarity NPD751 Clinical (unspecified phase)
0.6319 Remote Similarity NPD1352 Discontinued
0.6307 Remote Similarity NPD482 Approved
0.6306 Remote Similarity NPD1627 Clinical (unspecified phase)
0.6305 Remote Similarity NPD3263 Phase 3
0.6287 Remote Similarity NPD7547 Clinical (unspecified phase)
0.6282 Remote Similarity NPD9206 Approved
0.6282 Remote Similarity NPD9207 Approved
0.6273 Remote Similarity NPD569 Clinical (unspecified phase)
0.6271 Remote Similarity NPD749 Clinical (unspecified phase)
0.627 Remote Similarity NPD4376 Phase 3
0.6269 Remote Similarity NPD5429 Discontinued
0.6268 Remote Similarity NPD9098 Phase 3
0.6268 Remote Similarity NPD9099 Clinical (unspecified phase)
0.6258 Remote Similarity NPD3717 Discontinued
0.6257 Remote Similarity NPD2511 Approved
0.6257 Remote Similarity NPD2307 Discontinued
0.625 Remote Similarity NPD1213 Phase 3
0.625 Remote Similarity NPD8114 Approved
0.625 Remote Similarity NPD8115 Approved
0.6243 Remote Similarity NPD2915 Discontinued
0.6243 Remote Similarity NPD6137 Clinical (unspecified phase)
0.6236 Remote Similarity NPD6159 Phase 2
0.6235 Remote Similarity NPD1649 Discontinued
0.6235 Remote Similarity NPD2581 Approved
0.6235 Remote Similarity NPD2582 Approved
0.6231 Remote Similarity NPD3326 Clinical (unspecified phase)
0.623 Remote Similarity NPD9364 Phase 2
0.623 Remote Similarity NPD9363 Approved
0.6224 Remote Similarity NPD7927 Clinical (unspecified phase)
0.6224 Remote Similarity NPD5475 Discontinued
0.6221 Remote Similarity NPD1684 Approved
0.6221 Remote Similarity NPD1685 Approved
0.622 Remote Similarity NPD3813 Approved
0.6219 Remote Similarity NPD7180 Phase 3
0.6216 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6215 Remote Similarity NPD4883 Approved
0.6215 Remote Similarity NPD9690 Approved
0.6213 Remote Similarity NPD2809 Approved
0.6212 Remote Similarity NPD3757 Clinical (unspecified phase)
0.6211 Remote Similarity NPD484 Approved
0.6207 Remote Similarity NPD4174 Clinical (unspecified phase)
0.6207 Remote Similarity NPD181 Approved
0.6205 Remote Similarity NPD4506 Discontinued
0.6205 Remote Similarity NPD4888 Discontinued
0.6196 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6196 Remote Similarity NPD4334 Discontinued
0.6193 Remote Similarity NPD8097 Phase 3
0.6193 Remote Similarity NPD8096 Phase 3
0.619 Remote Similarity NPD7777 Approved
0.619 Remote Similarity NPD53 Approved
0.619 Remote Similarity NPD510 Phase 1
0.619 Remote Similarity NPD7778 Approved
0.6188 Remote Similarity NPD2092 Phase 2
0.6188 Remote Similarity NPD2095 Phase 2
0.6188 Remote Similarity NPD2094 Phase 2
0.6184 Remote Similarity NPD1467 Approved
0.6184 Remote Similarity NPD1466 Phase 3
0.6183 Remote Similarity NPD981 Phase 2
0.6176 Remote Similarity NPD276 Clinical (unspecified phase)
0.6176 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6173 Remote Similarity NPD1166 Clinical (unspecified phase)
0.6172 Remote Similarity NPD3074 Discontinued
0.617 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6167 Remote Similarity NPD5899 Approved
0.6167 Remote Similarity NPD5898 Approved
0.6167 Remote Similarity NPD5897 Approved
0.6166 Remote Similarity NPD3947 Discontinued
0.6166 Remote Similarity NPD4903 Approved
0.6166 Remote Similarity NPD4906 Approved
0.6166 Remote Similarity NPD4905 Approved
0.6163 Remote Similarity NPD112 Approved
0.6163 Remote Similarity NPD9705 Discontinued
0.6158 Remote Similarity NPD8356 Approved
0.6154 Remote Similarity NPD6376 Discontinued
0.6154 Remote Similarity NPD2096 Phase 2
0.6154 Remote Similarity NPD2509 Approved
0.6154 Remote Similarity NPD2091 Phase 2
0.6154 Remote Similarity NPD2510 Approved
0.6154 Remote Similarity NPD7483 Phase 2
0.6154 Remote Similarity NPD7482 Phase 2
0.615 Remote Similarity NPD5443 Clinical (unspecified phase)
0.6149 Remote Similarity NPD926 Approved

Structure

External Identifiers

PubChem CID   10367
ChEMBL   CHEMBL284104
ZINC  

Physicochemical Properties

Molecular Weight:  167.02
ALogP:  -0.4796
MLogP:  1.68
XLogP:  0.65
# Rotatable Bonds:  4
Polar Surface Area:  87.49
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  12

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