Natural Product: NPC144381

Natural Product ID:  NPC144381
Common Name:   Xanthurenate
IUPAC Name:   8-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
Synonyms:   Xanthurenic Acid
Molecular Formula:   C10H7NO4
Standard InCHIKey:  FBZONXHGGPHHIY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
Canonical SMILES:  OC(=O)c1cc(O)c2c(n1)c(O)ccc2
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
NPO1797 Homo sapiens Species Hominidae Eukaryota urine Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992.
NPO1797 Homo sapiens Species Hominidae Eukaryota blood PMID[12092667]
NPO610 Aedes aegypti Species Culicidae Eukaryota PMID[22701629]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4645 Individual Protein Vesicular glutamate transporter 3 Rattus norvegicus Ki = 190000 nM 12014964
NPT2963 Individual Protein Renal sodium-dependent phosphate transport protein 1 Rattus norvegicus Activity = 4 % 10498218
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 17782.8 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 79432.8 nM PubChem BioAssay data set
NPT55 Individual Protein Putative fructose-1,6-bisphosphate aldolase Giardia intestinalis Potency = 9976.3 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 100000 nM PubChem BioAssay data set
NPT28 Individual Protein LDL-associated phospholipase A2 Homo sapiens IC50 > 100000 nM 22217870
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 99.4 % 23571415
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 115.8 % 23571415
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 114 umol/kg 722758

  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 NPC144381 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
0.9261 High Similarity NPC230403
0.875 High Similarity NPC322644
0.8514 High Similarity NPC303225
0.8513 High Similarity NPC174576
0.8289 Intermediate Similarity NPC90229
0.8201 Intermediate Similarity NPC280714
0.8098 Intermediate Similarity NPC194040
0.8081 Intermediate Similarity NPC118228
0.8034 Intermediate Similarity NPC473764
0.8034 Intermediate Similarity NPC314940
0.801 Intermediate Similarity NPC325297
0.8 Intermediate Similarity NPC283117
0.7923 Intermediate Similarity NPC478032
0.7854 Intermediate Similarity NPC314633
0.7849 Intermediate Similarity NPC42591
0.7839 Intermediate Similarity NPC294375
0.7817 Intermediate Similarity NPC321428
0.7798 Intermediate Similarity NPC85443
0.779 Intermediate Similarity NPC252590
0.7789 Intermediate Similarity NPC309845
0.7783 Intermediate Similarity NPC184408
0.7767 Intermediate Similarity NPC51388
0.7722 Intermediate Similarity NPC41717
0.7718 Intermediate Similarity NPC478141
0.7701 Intermediate Similarity NPC207851
0.7673 Intermediate Similarity NPC250448
0.7661 Intermediate Similarity NPC161801
0.7661 Intermediate Similarity NPC218388
0.7647 Intermediate Similarity NPC293151
0.763 Intermediate Similarity NPC474701
0.7617 Intermediate Similarity NPC276517
0.7617 Intermediate Similarity NPC146724
0.7611 Intermediate Similarity NPC118511
0.7602 Intermediate Similarity NPC60553
0.7596 Intermediate Similarity NPC205372
0.7586 Intermediate Similarity NPC257142
0.7586 Intermediate Similarity NPC39500
0.7584 Intermediate Similarity NPC116573
0.7582 Intermediate Similarity NPC44161
0.7576 Intermediate Similarity NPC317572
0.7576 Intermediate Similarity NPC476098
0.756 Intermediate Similarity NPC179287
0.755 Intermediate Similarity NPC193238
0.755 Intermediate Similarity NPC270918
0.7538 Intermediate Similarity NPC141454
0.7513 Intermediate Similarity NPC320394
0.75 Intermediate Similarity NPC253810
0.7487 Intermediate Similarity NPC165599
0.7487 Intermediate Similarity NPC256268
0.7487 Intermediate Similarity NPC206186
0.7486 Intermediate Similarity NPC470894
0.7474 Intermediate Similarity NPC241025
0.7463 Intermediate Similarity NPC244741
0.7458 Intermediate Similarity NPC284348
0.7453 Intermediate Similarity NPC274640
0.7448 Intermediate Similarity NPC230805
0.7442 Intermediate Similarity NPC182222
0.7433 Intermediate Similarity NPC219848
0.7426 Intermediate Similarity NPC39679
0.7411 Intermediate Similarity NPC306376
0.7411 Intermediate Similarity NPC472284
0.7405 Intermediate Similarity NPC273532
0.7383 Intermediate Similarity NPC477112
0.738 Intermediate Similarity NPC84347
0.7379 Intermediate Similarity NPC237740
0.7368 Intermediate Similarity NPC243058
0.735 Intermediate Similarity NPC57398
0.7344 Intermediate Similarity NPC314573
0.733 Intermediate Similarity NPC203635
0.733 Intermediate Similarity NPC315829
0.7317 Intermediate Similarity NPC187501
0.7299 Intermediate Similarity NPC144452
0.7273 Intermediate Similarity NPC131885
0.7254 Intermediate Similarity NPC90415
0.725 Intermediate Similarity NPC315491
0.725 Intermediate Similarity NPC45459
0.7246 Intermediate Similarity NPC89508
0.7238 Intermediate Similarity NPC208084
0.7233 Intermediate Similarity NPC87413
0.7233 Intermediate Similarity NPC220337
0.7233 Intermediate Similarity NPC146418
0.7202 Intermediate Similarity NPC295158
0.7196 Intermediate Similarity NPC286195
0.7195 Intermediate Similarity NPC475844
0.7192 Intermediate Similarity NPC472259
0.7189 Intermediate Similarity NPC477516
0.7186 Intermediate Similarity NPC156704
0.7179 Intermediate Similarity NPC221873
0.7179 Intermediate Similarity NPC183805
0.7177 Intermediate Similarity NPC3207
0.7171 Intermediate Similarity NPC470280
0.7171 Intermediate Similarity NPC210828
0.7171 Intermediate Similarity NPC86834
0.7167 Intermediate Similarity NPC153769
0.7164 Intermediate Similarity NPC213308
0.7157 Intermediate Similarity NPC472286
0.7157 Intermediate Similarity NPC472287
0.7156 Intermediate Similarity NPC288987
0.715 Intermediate Similarity NPC192315
0.7149 Intermediate Similarity NPC41501
0.7143 Intermediate Similarity NPC312645
0.7143 Intermediate Similarity NPC134848
0.7143 Intermediate Similarity NPC474688
0.7135 Intermediate Similarity NPC302159
0.7128 Intermediate Similarity NPC66083
0.7127 Intermediate Similarity NPC26872
0.7122 Intermediate Similarity NPC53344
0.712 Intermediate Similarity NPC164340
0.7114 Intermediate Similarity NPC476167
0.711 Intermediate Similarity NPC43218
0.7094 Intermediate Similarity NPC66815
0.7087 Intermediate Similarity NPC171787
0.7083 Intermediate Similarity NPC140296
0.7081 Intermediate Similarity NPC79911
0.7081 Intermediate Similarity NPC232225
0.7075 Intermediate Similarity NPC74360
0.7075 Intermediate Similarity NPC315804
0.7075 Intermediate Similarity NPC313804
0.7073 Intermediate Similarity NPC300156
0.7067 Intermediate Similarity NPC9894
0.7067 Intermediate Similarity NPC23294
0.7062 Intermediate Similarity NPC470403
0.7062 Intermediate Similarity NPC470404
0.7062 Intermediate Similarity NPC470394
0.7062 Intermediate Similarity NPC27041
0.7059 Intermediate Similarity NPC15801
0.7054 Intermediate Similarity NPC316224
0.7048 Intermediate Similarity NPC16066
0.7048 Intermediate Similarity NPC165964
0.7042 Intermediate Similarity NPC174760
0.7042 Intermediate Similarity NPC225279
0.7041 Intermediate Similarity NPC278434
0.704 Intermediate Similarity NPC148889
0.7039 Intermediate Similarity NPC183777
0.7039 Intermediate Similarity NPC4687
0.7035 Intermediate Similarity NPC45850
0.7027 Intermediate Similarity NPC120798
0.7024 Intermediate Similarity NPC132539
0.7023 Intermediate Similarity NPC94842
0.7019 Intermediate Similarity NPC269367
0.7019 Intermediate Similarity NPC303951
0.7018 Intermediate Similarity NPC473800
0.7016 Intermediate Similarity NPC288943
0.7014 Intermediate Similarity NPC469928
0.7014 Intermediate Similarity NPC322064
0.7011 Intermediate Similarity NPC26850
0.7005 Intermediate Similarity NPC18890
0.7 Intermediate Similarity NPC151781
0.7 Intermediate Similarity NPC316181
0.7 Intermediate Similarity NPC74562
0.6991 Remote Similarity NPC97746
0.6983 Remote Similarity NPC470395
0.698 Remote Similarity NPC248782
0.698 Remote Similarity NPC474916
0.6979 Remote Similarity NPC283152
0.6978 Remote Similarity NPC160100
0.6978 Remote Similarity NPC291609
0.6974 Remote Similarity NPC62069
0.6961 Remote Similarity NPC471944
0.6957 Remote Similarity NPC88008
0.6952 Remote Similarity NPC219087
0.6949 Remote Similarity NPC227824
0.6946 Remote Similarity NPC128823
0.6944 Remote Similarity NPC161292
0.6943 Remote Similarity NPC313587
0.6943 Remote Similarity NPC474815
0.6943 Remote Similarity NPC42979
0.6943 Remote Similarity NPC316110
0.6943 Remote Similarity NPC315893
0.6942 Remote Similarity NPC314648
0.6935 Remote Similarity NPC92803
0.6934 Remote Similarity NPC330009
0.6933 Remote Similarity NPC124300
0.6927 Remote Similarity NPC224764
0.6927 Remote Similarity NPC8467
0.6923 Remote Similarity NPC477111
0.6911 Remote Similarity NPC474409
0.6909 Remote Similarity NPC260434
0.6908 Remote Similarity NPC477113
0.6907 Remote Similarity NPC52831
0.6907 Remote Similarity NPC325705
0.6905 Remote Similarity NPC82370
0.6901 Remote Similarity NPC246658
0.69 Remote Similarity NPC56170
0.6898 Remote Similarity NPC177404
0.6898 Remote Similarity NPC224632
0.6898 Remote Similarity NPC216612
0.6887 Remote Similarity NPC477979
0.6884 Remote Similarity NPC54066
0.6884 Remote Similarity NPC83111
0.6884 Remote Similarity NPC276657
0.6878 Remote Similarity NPC207686
0.6878 Remote Similarity NPC98864
0.6878 Remote Similarity NPC470586
0.6875 Remote Similarity NPC95898
0.6872 Remote Similarity NPC12344
0.6872 Remote Similarity NPC144114
0.6872 Remote Similarity NPC208522
0.6869 Remote Similarity NPC238242
0.6869 Remote Similarity NPC247803

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC144381 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
0.7802 Intermediate Similarity NPD9690 Approved
0.7697 Intermediate Similarity NPD112 Approved
0.7697 Intermediate Similarity NPD9705 Discontinued
0.7574 Intermediate Similarity NPD5416 Discontinued
0.7549 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7525 Intermediate Similarity NPD2779 Approved
0.7524 Intermediate Similarity NPD7395 Discontinued
0.75 Intermediate Similarity NPD3243 Approved
0.7487 Intermediate Similarity NPD5512 Phase 3
0.7487 Intermediate Similarity NPD5398 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD9714 Clinical (unspecified phase)
0.7433 Intermediate Similarity NPD6159 Phase 2
0.7427 Intermediate Similarity NPD2433 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD9695 Approved
0.7383 Intermediate Similarity NPD1505 Phase 2
0.7383 Intermediate Similarity NPD1467 Approved
0.7383 Intermediate Similarity NPD1466 Phase 3
0.7379 Intermediate Similarity NPD7538 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD2778 Approved
0.7358 Intermediate Similarity NPD408 Approved
0.7358 Intermediate Similarity NPD3263 Phase 3
0.7358 Intermediate Similarity NPD7603 Discontinued
0.7353 Intermediate Similarity NPD648 Clinical (unspecified phase)
0.7291 Intermediate Similarity NPD5429 Discontinued
0.725 Intermediate Similarity NPD484 Approved
0.7245 Intermediate Similarity NPD9689 Approved
0.724 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD7703 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD3779 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD2951 Discontinued
0.72 Intermediate Similarity NPD2177 Approved
0.72 Intermediate Similarity NPD2176 Approved
0.72 Intermediate Similarity NPD2175 Phase 3
0.7192 Intermediate Similarity NPD6138 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1213 Phase 3
0.7136 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD1631 Approved
0.7109 Intermediate Similarity NPD4429 Discontinued
0.7103 Intermediate Similarity NPD7547 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD7853 Phase 2
0.7065 Intermediate Similarity NPD712 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD1867 Approved
0.7059 Intermediate Similarity NPD4554 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD2285 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD4667 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD3986 Discontinued
0.7041 Intermediate Similarity NPD4948 Discontinued
0.7039 Intermediate Similarity NPD6290 Phase 2
0.703 Intermediate Similarity NPD9688 Approved
0.703 Intermediate Similarity NPD9687 Approved
0.7019 Intermediate Similarity NPD1166 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD3259 Approved
0.7 Intermediate Similarity NPD3945 Discontinued
0.6995 Remote Similarity NPD3258 Approved
0.6995 Remote Similarity NPD6974 Phase 3
0.6991 Remote Similarity NPD7586 Clinical (unspecified phase)
0.699 Remote Similarity NPD2715 Clinical (unspecified phase)
0.6984 Remote Similarity NPD1573 Approved
0.6984 Remote Similarity NPD1575 Approved
0.6978 Remote Similarity NPD9706 Clinical (unspecified phase)
0.6973 Remote Similarity NPD1630 Approved
0.697 Remote Similarity NPD5316 Approved
0.6967 Remote Similarity NPD4897 Phase 2
0.6963 Remote Similarity NPD7180 Phase 3
0.6963 Remote Similarity NPD5850 Phase 3
0.6955 Remote Similarity NPD3746 Discontinued
0.6952 Remote Similarity NPD5866 Approved
0.6943 Remote Similarity NPD1503 Clinical (unspecified phase)
0.6941 Remote Similarity NPD5022 Discontinued
0.6927 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5522 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6376 Discontinued
0.6912 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6907 Remote Similarity NPD9510 Approved
0.6905 Remote Similarity NPD4502 Phase 2
0.6898 Remote Similarity NPD8356 Approved
0.6897 Remote Similarity NPD772 Phase 3
0.6887 Remote Similarity NPD3257 Approved
0.6881 Remote Similarity NPD6550 Discontinued
0.6872 Remote Similarity NPD7069 Discontinued
0.6872 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6869 Remote Similarity NPD8109 Clinical (unspecified phase)
0.686 Remote Similarity NPD2721 Clinical (unspecified phase)
0.6858 Remote Similarity NPD6716 Phase 1
0.6856 Remote Similarity NPD1587 Approved
0.6849 Remote Similarity NPD8430 Approved
0.6847 Remote Similarity NPD6988 Phase 1
0.6842 Remote Similarity NPD2916 Discontinued
0.6837 Remote Similarity NPD4312 Approved
0.6835 Remote Similarity NPD3925 Approved
0.6828 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6828 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6828 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6826 Remote Similarity NPD3809 Discontinued
0.6825 Remote Similarity NPD5936 Approved
0.6825 Remote Similarity NPD5939 Approved
0.6821 Remote Similarity NPD6452 Discontinued
0.6818 Remote Similarity NPD3315 Phase 3
0.6812 Remote Similarity NPD3328 Phase 2
0.6808 Remote Similarity NPD1638 Discovery
0.6796 Remote Similarity NPD7727 Phase 2
0.6791 Remote Similarity NPD5632 Approved
0.6786 Remote Similarity NPD3006 Discontinued
0.6786 Remote Similarity NPD3178 Discontinued
0.6784 Remote Similarity NPD7022 Phase 2
0.6784 Remote Similarity NPD9364 Phase 2
0.6784 Remote Similarity NPD9363 Approved
0.6774 Remote Similarity NPD5506 Approved
0.6774 Remote Similarity NPD5507 Approved
0.6771 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6768 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6756 Remote Similarity NPD4368 Phase 2
0.6736 Remote Similarity NPD43 Approved
0.6736 Remote Similarity NPD6182 Approved
0.6736 Remote Similarity NPD6183 Clinical (unspecified phase)
0.6733 Remote Similarity NPD9243 Approved
0.6715 Remote Similarity NPD7817 Phase 1
0.6712 Remote Similarity NPD4898 Clinical (unspecified phase)
0.6703 Remote Similarity NPD6476 Clinical (unspecified phase)
0.6703 Remote Similarity NPD2882 Phase 1
0.6703 Remote Similarity NPD6158 Phase 2
0.6701 Remote Similarity NPD1586 Approved
0.67 Remote Similarity NPD2383 Phase 1
0.6699 Remote Similarity NPD8115 Approved
0.6699 Remote Similarity NPD8114 Approved
0.6698 Remote Similarity NPD3392 Approved
0.6697 Remote Similarity NPD4328 Approved
0.6697 Remote Similarity NPD4845 Discontinued
0.6696 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6696 Remote Similarity NPD2921 Clinical (unspecified phase)
0.6696 Remote Similarity NPD5488 Discontinued
0.6685 Remote Similarity NPD3525 Discontinued
0.6683 Remote Similarity NPD5003 Discontinued
0.6682 Remote Similarity NPD6962 Phase 2
0.6682 Remote Similarity NPD2616 Phase 3
0.6682 Remote Similarity NPD7203 Clinical (unspecified phase)
0.6682 Remote Similarity NPD2615 Phase 3
0.6681 Remote Similarity NPD5482 Discontinued
0.6667 Remote Similarity NPD6590 Discontinued
0.6667 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8463 Approved
0.6667 Remote Similarity NPD7417 Discontinued
0.6667 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2792 Approved
0.6652 Remote Similarity NPD5640 Discontinued
0.6652 Remote Similarity NPD4394 Clinical (unspecified phase)
0.6651 Remote Similarity NPD2121 Clinical (unspecified phase)
0.665 Remote Similarity NPD5445 Approved
0.6634 Remote Similarity NPD2565 Phase 2
0.6634 Remote Similarity NPD2564 Approved
0.6632 Remote Similarity NPD1684 Approved
0.6632 Remote Similarity NPD1685 Approved
0.6631 Remote Similarity NPD5257 Clinical (unspecified phase)
0.6622 Remote Similarity NPD4460 Clinical (unspecified phase)
0.6622 Remote Similarity NPD7994 Phase 2
0.6619 Remote Similarity NPD5901 Discontinued
0.6616 Remote Similarity NPD4204 Approved
0.6616 Remote Similarity NPD4203 Approved
0.6608 Remote Similarity NPD5805 Approved
0.6605 Remote Similarity NPD3794 Approved
0.6605 Remote Similarity NPD3795 Approved
0.6597 Remote Similarity NPD861 Approved
0.6597 Remote Similarity NPD862 Approved
0.6597 Remote Similarity NPD863 Approved
0.6597 Remote Similarity NPD5088 Discontinued
0.659 Remote Similarity NPD5443 Clinical (unspecified phase)
0.6589 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6585 Remote Similarity NPD4418 Discontinued
0.6583 Remote Similarity NPD3253 Clinical (unspecified phase)
0.6583 Remote Similarity NPD5728 Clinical (unspecified phase)
0.658 Remote Similarity NPD2844 Phase 3
0.658 Remote Similarity NPD2821 Approved
0.657 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6567 Remote Similarity NPD5809 Phase 3
0.6562 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6562 Remote Similarity NPD5801 Clinical (unspecified phase)
0.656 Remote Similarity NPD8405 Clinical (unspecified phase)
0.656 Remote Similarity NPD3354 Phase 2
0.6558 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6549 Remote Similarity NPD4373 Phase 2
0.6548 Remote Similarity NPD6641 Approved
0.6548 Remote Similarity NPD6642 Approved
0.6543 Remote Similarity NPD3684 Discontinued
0.654 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6538 Remote Similarity NPD1499 Phase 3
0.6533 Remote Similarity NPD9362 Approved
0.6531 Remote Similarity NPD158 Discontinued
0.6528 Remote Similarity NPD425 Approved
0.6528 Remote Similarity NPD424 Approved
0.6526 Remote Similarity NPD604 Clinical (unspecified phase)
0.6522 Remote Similarity NPD9075 Approved
0.6522 Remote Similarity NPD9074 Approved
0.6522 Remote Similarity NPD6162 Approved
0.6522 Remote Similarity NPD6161 Approved
0.652 Remote Similarity NPD2336 Approved
0.652 Remote Similarity NPD3074 Discontinued
0.6517 Remote Similarity NPD2762 Phase 2
0.6516 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6514 Remote Similarity NPD5164 Discontinued

Structure

External Identifiers

PubChem CID   5699
ChEMBL   CHEMBL312535
ZINC  

Physicochemical Properties

Molecular Weight:  205.04
ALogP:  -1.1604
MLogP:  2.01
XLogP:  0.516
# Rotatable Bonds:  4
Polar Surface Area:  90.65
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  15

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