Natural Product: NPC79618

Natural Product ID:  NPC79618
Common Name:   N-Phenylnaphthalen-1-Amine
IUPAC Name:   N-phenylnaphthalen-1-amine
Synonyms:  
Molecular Formula:   C16H13N
Standard InCHIKey:  XQVWYOYUZDUNRW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
Canonical SMILES:  c1ccc(cc1)Nc1cccc2c1cccc2
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
NPO19689 Radix cirsii japonici Species Lymnaeidae Eukaryota TCMSP*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO18195 Maydis seigma NA NA NA TCMSP*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCMSP*
NPO25170 Dictyota coriacea Species Dictyotaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 63095.7 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT792 Individual Protein Arachidonate 15-lipoxygenase Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT791 Individual Protein Cruzipain Trypanosoma cruzi Potency = 39810.7 nM PubChem BioAssay data set
NPT150 Individual Protein Anthrax lethal factor Bacillus anthracis Potency = 25118.9 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT524 Individual Protein Serine-protein kinase ATM Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 31622.8 nM PubChem BioAssay data set
NPT539 Individual Protein Cellular tumor antigen p53 Homo sapiens Potency = 3.2 nM PubChem BioAssay data set
NPT109 Individual Protein Cytochrome P450 3A4 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25929 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 16353.5 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 2.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT98 Individual Protein HERG Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT99 Individual Protein Peroxisome proliferator-activated receptor gamma Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 25118.9 nM PubChem BioAssay data set
NPT2971 Individual Protein DNA dC->dU-editing enzyme APOBEC-3F Homo sapiens Potency 19952.6 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 20596.2 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT155 Individual Protein Aryl hydrocarbon receptor Homo sapiens Potency 44668.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 24336.5 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 42163.2 nM PubChem BioAssay data set
NPT156 Individual Protein Sphingomyelin phosphodiesterase Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT477 Individual Protein DNA dC->dU-editing enzyme APOBEC-3G Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT101 Individual Protein Glucagon-like peptide 1 receptor Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT158 Individual Protein Nuclear receptor subfamily 1 group I member 2 Rattus norvegicus Potency 70794.6 nM PubChem BioAssay data set
NPT102 Individual Protein Interleukin-8 Homo sapiens Potency 74978 nM PubChem BioAssay data set
NPT866 Individual Protein Peroxisome proliferator-activated receptor alpha Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 62475.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55681.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 48972.2 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 61130.6 nM PubChem BioAssay data set
NPT161 Individual Protein Rap guanine nucleotide exchange factor 4 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 39419.3 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 61939.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9688.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13866.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27306 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44229.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61939.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17378.1 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 77977.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 70794.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6247.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44668.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 69497.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43277.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43849.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 77977.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54482.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49200.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31043.3 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 27539.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 49626 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 16785.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 74978 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 55681.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 218.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4364.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39081.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 55203.7 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 54947.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Kd = 32 nM 24913411
NPT2 Others Unspecified Potency 24544.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48972.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31311.9 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 61652.4 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 49626 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 48972.2 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 49626 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21875.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24871.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 39419.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6859 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 NPC79618 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
0.9604 High Similarity NPC434
0.8687 High Similarity NPC108800
0.8257 Intermediate Similarity NPC302790
0.825 Intermediate Similarity NPC328590
0.798 Intermediate Similarity NPC229477
0.7843 Intermediate Similarity NPC176858
0.7815 Intermediate Similarity NPC475915
0.7767 Intermediate Similarity NPC191444
0.7557 Intermediate Similarity NPC312092
0.7545 Intermediate Similarity NPC291610
0.7523 Intermediate Similarity NPC323726
0.7364 Intermediate Similarity NPC473930
0.7339 Intermediate Similarity NPC192533
0.7333 Intermediate Similarity NPC313449
0.7317 Intermediate Similarity NPC268534
0.7315 Intermediate Similarity NPC329430
0.7302 Intermediate Similarity NPC250361
0.7238 Intermediate Similarity NPC111233
0.7238 Intermediate Similarity NPC30445
0.7222 Intermediate Similarity NPC252794
0.7213 Intermediate Similarity NPC54102
0.7213 Intermediate Similarity NPC162689
0.7188 Intermediate Similarity NPC473762
0.7167 Intermediate Similarity NPC288232
0.7154 Intermediate Similarity NPC475450
0.7143 Intermediate Similarity NPC262295
0.7143 Intermediate Similarity NPC187036
0.7143 Intermediate Similarity NPC314141
0.7143 Intermediate Similarity NPC296163
0.7132 Intermediate Similarity NPC473587
0.7087 Intermediate Similarity NPC134825
0.7077 Intermediate Similarity NPC475428
0.705 Intermediate Similarity NPC477134
0.7049 Intermediate Similarity NPC192209
0.7048 Intermediate Similarity NPC258046
0.7031 Intermediate Similarity NPC145754
0.7023 Intermediate Similarity NPC179365
0.7019 Intermediate Similarity NPC169016
0.7016 Intermediate Similarity NPC179605
0.7016 Intermediate Similarity NPC279385
0.7009 Intermediate Similarity NPC173991
0.7008 Intermediate Similarity NPC122718
0.6984 Remote Similarity NPC41174
0.696 Remote Similarity NPC103292
0.6957 Remote Similarity NPC328877
0.6947 Remote Similarity NPC282398
0.693 Remote Similarity NPC239854
0.6911 Remote Similarity NPC148140
0.6881 Remote Similarity NPC470926
0.6855 Remote Similarity NPC81561
0.6846 Remote Similarity NPC209389
0.6838 Remote Similarity NPC169433
0.6831 Remote Similarity NPC33421
0.6829 Remote Similarity NPC313673
0.6825 Remote Similarity NPC257490
0.6818 Remote Similarity NPC22079
0.6789 Remote Similarity NPC78154
0.6693 Remote Similarity NPC215519
0.669 Remote Similarity NPC109787
0.6667 Remote Similarity NPC41257
0.6667 Remote Similarity NPC9856
0.6622 Remote Similarity NPC44773
0.6622 Remote Similarity NPC215584
0.6619 Remote Similarity NPC284635
0.6618 Remote Similarity NPC198988
0.6604 Remote Similarity NPC104070
0.6599 Remote Similarity NPC286427
0.6587 Remote Similarity NPC264580
0.6581 Remote Similarity NPC474430
0.6569 Remote Similarity NPC325252
0.6566 Remote Similarity NPC271732
0.6554 Remote Similarity NPC318065
0.6554 Remote Similarity NPC206819
0.6554 Remote Similarity NPC56765
0.6547 Remote Similarity NPC88097
0.6535 Remote Similarity NPC177684
0.6535 Remote Similarity NPC291962
0.6525 Remote Similarity NPC311330
0.6522 Remote Similarity NPC314102
0.6522 Remote Similarity NPC251722
0.6503 Remote Similarity NPC288838
0.65 Remote Similarity NPC115611
0.65 Remote Similarity NPC2949
0.65 Remote Similarity NPC59084
0.6484 Remote Similarity NPC258531
0.6484 Remote Similarity NPC112373
0.6484 Remote Similarity NPC161956
0.6471 Remote Similarity NPC313352
0.6471 Remote Similarity NPC301874
0.6462 Remote Similarity NPC254698
0.6454 Remote Similarity NPC63157
0.6454 Remote Similarity NPC473868
0.6449 Remote Similarity NPC96102
0.6449 Remote Similarity NPC218268
0.6449 Remote Similarity NPC29886
0.6449 Remote Similarity NPC119677
0.6449 Remote Similarity NPC261195
0.6446 Remote Similarity NPC164802
0.6442 Remote Similarity NPC12857
0.6434 Remote Similarity NPC264589
0.6424 Remote Similarity NPC162799
0.6419 Remote Similarity NPC184476
0.6418 Remote Similarity NPC473417
0.6412 Remote Similarity NPC46358
0.6406 Remote Similarity NPC226143
0.6406 Remote Similarity NPC143603
0.6403 Remote Similarity NPC84911
0.6403 Remote Similarity NPC125746
0.6403 Remote Similarity NPC105127
0.6397 Remote Similarity NPC82295
0.6395 Remote Similarity NPC325903
0.6391 Remote Similarity NPC476950
0.6391 Remote Similarity NPC476140
0.6389 Remote Similarity NPC133162
0.6385 Remote Similarity NPC39818
0.6383 Remote Similarity NPC469780
0.6383 Remote Similarity NPC469761
0.6383 Remote Similarity NPC469783
0.6383 Remote Similarity NPC469767
0.6383 Remote Similarity NPC469768
0.6383 Remote Similarity NPC469779
0.6383 Remote Similarity NPC469784
0.6376 Remote Similarity NPC216643
0.637 Remote Similarity NPC53947
0.637 Remote Similarity NPC206592
0.6364 Remote Similarity NPC172170
0.6364 Remote Similarity NPC242556
0.6357 Remote Similarity NPC258787
0.6357 Remote Similarity NPC161052
0.6346 Remote Similarity NPC98269
0.6346 Remote Similarity NPC325662
0.6345 Remote Similarity NPC21605
0.6338 Remote Similarity NPC469766
0.6328 Remote Similarity NPC320656
0.6316 Remote Similarity NPC322040
0.6312 Remote Similarity NPC110126
0.6312 Remote Similarity NPC73767
0.6296 Remote Similarity NPC194562
0.6279 Remote Similarity NPC91958
0.6276 Remote Similarity NPC63545
0.627 Remote Similarity NPC205652
0.6268 Remote Similarity NPC473429
0.6268 Remote Similarity NPC279081
0.626 Remote Similarity NPC132146
0.6258 Remote Similarity NPC194411
0.625 Remote Similarity NPC139658
0.6242 Remote Similarity NPC476219
0.6241 Remote Similarity NPC130251
0.6233 Remote Similarity NPC201380
0.6233 Remote Similarity NPC179787
0.6233 Remote Similarity NPC469811
0.6225 Remote Similarity NPC221786
0.6225 Remote Similarity NPC474880
0.6225 Remote Similarity NPC475990
0.6209 Remote Similarity NPC90723
0.6207 Remote Similarity NPC204141
0.6207 Remote Similarity NPC469735
0.6207 Remote Similarity NPC470440
0.6204 Remote Similarity NPC476687
0.6204 Remote Similarity NPC476689
0.6204 Remote Similarity NPC476685
0.6202 Remote Similarity NPC228515
0.62 Remote Similarity NPC51054
0.6198 Remote Similarity NPC313362
0.6198 Remote Similarity NPC474695
0.6197 Remote Similarity NPC2823
0.6197 Remote Similarity NPC301760
0.619 Remote Similarity NPC321911
0.619 Remote Similarity NPC37548
0.619 Remote Similarity NPC124005
0.6187 Remote Similarity NPC300299
0.6186 Remote Similarity NPC75496
0.6184 Remote Similarity NPC229173
0.6181 Remote Similarity NPC136002
0.6181 Remote Similarity NPC190296
0.6174 Remote Similarity NPC200743
0.6174 Remote Similarity NPC295021
0.6172 Remote Similarity NPC147957
0.6167 Remote Similarity NPC178681
0.6164 Remote Similarity NPC143872
0.6164 Remote Similarity NPC469740
0.6154 Remote Similarity NPC230002
0.6154 Remote Similarity NPC98976
0.6148 Remote Similarity NPC478079
0.6148 Remote Similarity NPC469949
0.6142 Remote Similarity NPC470550
0.6139 Remote Similarity NPC275305
0.6139 Remote Similarity NPC37423
0.6133 Remote Similarity NPC476297
0.6118 Remote Similarity NPC92796
0.6118 Remote Similarity NPC135141
0.6118 Remote Similarity NPC6436
0.6115 Remote Similarity NPC184437
0.6107 Remote Similarity NPC470233
0.6104 Remote Similarity NPC317105
0.6102 Remote Similarity NPC317642
0.6098 Remote Similarity NPC37584
0.6096 Remote Similarity NPC314372
0.6096 Remote Similarity NPC159856
0.6095 Remote Similarity NPC271642

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC79618 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
0.8198 Intermediate Similarity NPD2038 Approved
0.8198 Intermediate Similarity NPD2039 Approved
0.8036 Intermediate Similarity NPD2999 Approved
0.8036 Intermediate Similarity NPD3001 Approved
0.7909 Intermediate Similarity NPD993 Approved
0.7909 Intermediate Similarity NPD990 Approved
0.7857 Intermediate Similarity NPD4116 Approved
0.7748 Intermediate Similarity NPD3545 Approved
0.7748 Intermediate Similarity NPD3546 Approved
0.7739 Intermediate Similarity NPD2913 Approved
0.7739 Intermediate Similarity NPD2914 Approved
0.7679 Intermediate Similarity NPD4115 Approved
0.7679 Intermediate Similarity NPD4114 Approved
0.7679 Intermediate Similarity NPD5253 Approved
0.7545 Intermediate Similarity NPD4734 Approved
0.7545 Intermediate Similarity NPD4735 Approved
0.7544 Intermediate Similarity NPD1539 Approved
0.75 Intermediate Similarity NPD3240 Phase 2
0.748 Intermediate Similarity NPD2940 Approved
0.748 Intermediate Similarity NPD2938 Approved
0.7373 Intermediate Similarity NPD5629 Discontinued
0.736 Intermediate Similarity NPD1950 Approved
0.736 Intermediate Similarity NPD1949 Approved
0.7333 Intermediate Similarity NPD7481 Approved
0.7333 Intermediate Similarity NPD7480 Approved
0.7315 Intermediate Similarity NPD5554 Approved
0.7257 Intermediate Similarity NPD4937 Approved
0.7257 Intermediate Similarity NPD4936 Approved
0.7248 Intermediate Similarity NPD2005 Discontinued
0.7241 Intermediate Similarity NPD7633 Discontinued
0.7217 Intermediate Similarity NPD6300 Approved
0.7217 Intermediate Similarity NPD6299 Approved
0.7213 Intermediate Similarity NPD1306 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD4408 Approved
0.713 Intermediate Similarity NPD4407 Approved
0.713 Intermediate Similarity NPD4405 Approved
0.7107 Intermediate Similarity NPD2464 Approved
0.7107 Intermediate Similarity NPD2463 Approved
0.7107 Intermediate Similarity NPD2467 Approved
0.708 Intermediate Similarity NPD5254 Discontinued
0.7054 Intermediate Similarity NPD1946 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD4019 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1723 Phase 2
0.7025 Intermediate Similarity NPD1720 Phase 2
0.7015 Intermediate Similarity NPD1626 Approved
0.7015 Intermediate Similarity NPD1262 Discovery
0.7009 Intermediate Similarity NPD1721 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5180 Approved
0.7 Intermediate Similarity NPD947 Approved
0.7 Intermediate Similarity NPD5181 Approved
0.7 Intermediate Similarity NPD4300 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5179 Approved
0.6992 Remote Similarity NPD5657 Phase 3
0.6991 Remote Similarity NPD1916 Discontinued
0.6985 Remote Similarity NPD6768 Approved
0.6985 Remote Similarity NPD3943 Clinical (unspecified phase)
0.6949 Remote Similarity NPD3548 Approved
0.6944 Remote Similarity NPD5915 Approved
0.6935 Remote Similarity NPD3498 Approved
0.6935 Remote Similarity NPD3499 Approved
0.6912 Remote Similarity NPD5518 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5598 Approved
0.6875 Remote Similarity NPD5597 Approved
0.6838 Remote Similarity NPD1065 Approved
0.6838 Remote Similarity NPD1064 Approved
0.6822 Remote Similarity NPD6900 Discontinued
0.6822 Remote Similarity NPD2840 Approved
0.6815 Remote Similarity NPD6342 Discontinued
0.6812 Remote Similarity NPD1625 Approved
0.6809 Remote Similarity NPD4888 Discontinued
0.6806 Remote Similarity NPD5606 Discontinued
0.6797 Remote Similarity NPD1640 Clinical (unspecified phase)
0.6794 Remote Similarity NPD8263 Discontinued
0.6792 Remote Similarity NPD9505 Clinical (unspecified phase)
0.6774 Remote Similarity NPD299 Phase 3
0.6763 Remote Similarity NPD4637 Clinical (unspecified phase)
0.6763 Remote Similarity NPD6506 Clinical (unspecified phase)
0.6759 Remote Similarity NPD2748 Clinical (unspecified phase)
0.6746 Remote Similarity NPD6892 Discontinued
0.6744 Remote Similarity NPD4985 Clinical (unspecified phase)
0.6741 Remote Similarity NPD4880 Discontinued
0.6698 Remote Similarity NPD2538 Approved
0.6698 Remote Similarity NPD2539 Approved
0.6691 Remote Similarity NPD1253 Approved
0.6691 Remote Similarity NPD1255 Approved
0.6691 Remote Similarity NPD1256 Approved
0.6691 Remote Similarity NPD1254 Approved
0.6667 Remote Similarity NPD3385 Approved
0.6667 Remote Similarity NPD1108 Approved
0.6667 Remote Similarity NPD5631 Phase 3
0.6667 Remote Similarity NPD2918 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2919 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2871 Approved
0.6667 Remote Similarity NPD1813 Discontinued
0.6667 Remote Similarity NPD2870 Approved
0.6667 Remote Similarity NPD1107 Approved
0.6644 Remote Similarity NPD3323 Discontinued
0.6642 Remote Similarity NPD1874 Clinical (unspecified phase)
0.6642 Remote Similarity NPD45 Approved
0.6642 Remote Similarity NPD1251 Discontinued
0.6642 Remote Similarity NPD6554 Approved
0.6641 Remote Similarity NPD1560 Clinical (unspecified phase)
0.664 Remote Similarity NPD153 Clinical (unspecified phase)
0.6617 Remote Similarity NPD3841 Phase 3
0.6617 Remote Similarity NPD4867 Approved
0.6617 Remote Similarity NPD4866 Approved
0.6615 Remote Similarity NPD6320 Approved
0.6615 Remote Similarity NPD8128 Discontinued
0.6607 Remote Similarity NPD6548 Approved
0.6607 Remote Similarity NPD6549 Approved
0.6607 Remote Similarity NPD4545 Approved
0.6607 Remote Similarity NPD735 Approved
0.6607 Remote Similarity NPD736 Approved
0.6607 Remote Similarity NPD4542 Approved
0.6591 Remote Similarity NPD7582 Discontinued
0.6591 Remote Similarity NPD3011 Approved
0.6591 Remote Similarity NPD3012 Approved
0.6591 Remote Similarity NPD3008 Approved
0.6591 Remote Similarity NPD995 Clinical (unspecified phase)
0.6587 Remote Similarity NPD1216 Clinical (unspecified phase)
0.6587 Remote Similarity NPD1668 Clinical (unspecified phase)
0.6585 Remote Similarity NPD1175 Approved
0.6569 Remote Similarity NPD3864 Clinical (unspecified phase)
0.6565 Remote Similarity NPD3438 Approved
0.6565 Remote Similarity NPD1836 Discontinued
0.656 Remote Similarity NPD6069 Approved
0.656 Remote Similarity NPD6070 Approved
0.6549 Remote Similarity NPD5839 Clinical (unspecified phase)
0.6547 Remote Similarity NPD1953 Discontinued
0.6545 Remote Similarity NPD5656 Clinical (unspecified phase)
0.6544 Remote Similarity NPD1228 Phase 2
0.6541 Remote Similarity NPD3424 Clinical (unspecified phase)
0.6535 Remote Similarity NPD2210 Approved
0.6535 Remote Similarity NPD2212 Approved
0.6528 Remote Similarity NPD4374 Clinical (unspecified phase)
0.6519 Remote Similarity NPD6740 Clinical (unspecified phase)
0.6514 Remote Similarity NPD4146 Approved
0.6514 Remote Similarity NPD3426 Approved
0.6514 Remote Similarity NPD3428 Approved
0.6514 Remote Similarity NPD4145 Approved
0.6513 Remote Similarity NPD5021 Discontinued
0.6512 Remote Similarity NPD4775 Clinical (unspecified phase)
0.6503 Remote Similarity NPD1683 Approved
0.6503 Remote Similarity NPD1528 Clinical (unspecified phase)
0.6496 Remote Similarity NPD1207 Approved
0.6496 Remote Similarity NPD1206 Approved
0.6489 Remote Similarity NPD1937 Approved
0.6484 Remote Similarity NPD2340 Discontinued
0.6483 Remote Similarity NPD8355 Approved
0.6483 Remote Similarity NPD8353 Approved
0.6479 Remote Similarity NPD1918 Clinical (unspecified phase)
0.6475 Remote Similarity NPD6606 Clinical (unspecified phase)
0.6466 Remote Similarity NPD2036 Approved
0.6462 Remote Similarity NPD3622 Clinical (unspecified phase)
0.6462 Remote Similarity NPD3623 Clinical (unspecified phase)
0.646 Remote Similarity NPD3982 Approved
0.646 Remote Similarity NPD2878 Approved
0.646 Remote Similarity NPD3980 Approved
0.6457 Remote Similarity NPD5511 Discontinued
0.6457 Remote Similarity NPD922 Approved
0.6455 Remote Similarity NPD3345 Approved
0.6454 Remote Similarity NPD4430 Phase 2
0.6449 Remote Similarity NPD4411 Phase 1
0.6449 Remote Similarity NPD4410 Clinical (unspecified phase)
0.6449 Remote Similarity NPD198 Clinical (unspecified phase)
0.6446 Remote Similarity NPD8010 Approved
0.6446 Remote Similarity NPD477 Phase 1
0.6446 Remote Similarity NPD8009 Approved
0.6434 Remote Similarity NPD678 Discontinued
0.6429 Remote Similarity NPD3000 Approved
0.6429 Remote Similarity NPD2997 Approved
0.6429 Remote Similarity NPD2010 Phase 3
0.6429 Remote Similarity NPD2998 Approved
0.6429 Remote Similarity NPD4543 Discontinued
0.6419 Remote Similarity NPD2150 Discontinued
0.6419 Remote Similarity NPD6574 Clinical (unspecified phase)
0.6418 Remote Similarity NPD4490 Approved
0.6418 Remote Similarity NPD4489 Approved
0.6417 Remote Similarity NPD7170 Discontinued
0.6414 Remote Similarity NPD2737 Clinical (unspecified phase)
0.6397 Remote Similarity NPD1595 Approved
0.6397 Remote Similarity NPD1594 Phase 3
0.6397 Remote Similarity NPD1541 Approved
0.6395 Remote Similarity NPD5086 Approved
0.6395 Remote Similarity NPD8354 Approved
0.6389 Remote Similarity NPD3427 Approved
0.6389 Remote Similarity NPD3429 Approved
0.6383 Remote Similarity NPD1189 Approved
0.6382 Remote Similarity NPD5744 Clinical (unspecified phase)
0.6379 Remote Similarity NPD6498 Approved
0.6379 Remote Similarity NPD6499 Approved
0.6379 Remote Similarity NPD5832 Phase 3
0.637 Remote Similarity NPD4463 Approved
0.637 Remote Similarity NPD4462 Approved
0.637 Remote Similarity NPD6489 Phase 3
0.637 Remote Similarity NPD3654 Approved
0.6364 Remote Similarity NPD3301 Approved
0.6364 Remote Similarity NPD5531 Discontinued
0.6364 Remote Similarity NPD2243 Clinical (unspecified phase)
0.6364 Remote Similarity NPD2143 Discontinued

Structure

External Identifiers

PubChem CID   7013
ChEMBL   CHEMBL170408
ZINC  

Physicochemical Properties

Molecular Weight:  219.10
ALogP:  -0.4204
MLogP:  3.11
XLogP:  6.575
# Rotatable Bonds:  2
Polar Surface Area:  12.03
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

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