Natural Product: NPC307020

Natural Product ID:  NPC307020
Common Name:   Ifenprodil
IUPAC Name:   4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Synonyms:   Ifenprodil; Ifenprodil Tartrate; RC 61-91; Vadilex
Molecular Formula:   C21H27NO2
Standard InCHIKey:  UYNVMODNBIQBMV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
Canonical SMILES:  Oc1ccc(cc1)C(C(N1CCC(CC1)Cc1ccccc1)C)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
NPO15124 Herba sedi sarmentosi NA NA NA TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5625 Individual Protein 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus Ki = 2.71 nM 12747784
NPT1496 Protein Complex Glutamate NMDA receptor Rattus norvegicus IC50 = 263 nM 1681106
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus IC50 = 100 nM 1681106
NPT5856 Individual Protein Serotonin 2a (5-HT2a) receptor Bos taurus IC50 = 610 nM 1681106
NPT5255 Individual Protein Serotonin 1a (5-HT1a) receptor Mus musculus IC50 = 238 nM 1681106
NPT968 Protein Family Adrenergic receptor alpha-1 Rattus norvegicus IC50 = 110 nM 1681106
NPT145 Individual Protein Mu opioid receptor Homo sapiens IC50 > 1000 nM 1681106
NPT296 Individual Protein Sigma opioid receptor Homo sapiens IC50 = 3.9 nM 1681106
NPT251 Individual Protein Histamine H1 receptor Homo sapiens IC50 = 1000 nM 1681106
NPT5857 Individual Protein Dopamine D1 receptor Mus musculus IC50 > 1000 nM 1681106
NPT243 Individual Protein Dopamine D2 receptor Homo sapiens IC50 > 1000 nM 1681106
NPT1303 Individual Protein Muscarinic acetylcholine receptor M3 Rattus norvegicus IC50 > 1000 nM 1681106
NPT1067 Individual Protein Sigma opioid receptor Rattus norvegicus Ki = 4.9 nM 10602703
NPT5625 Individual Protein 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus Ki = 4.7 nM 16366605
NPT5625 Individual Protein 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus Ki = 19.8 nM 17713896
NPT3933 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus Ki = 11 nM 18434149
NPT3933 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus Ratio = 1 18434149
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens IC50 = 110 nM 18434149
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens Ratio IC50 = 1 18434149
NPT1163 Individual Protein Glutamate (NMDA) receptor subunit zeta 1 Rattus norvegicus IC50 = 73 nM 18800760
NPT1070 Individual Protein Sigma-1 receptor Cavia porcellus Ki = 2 nM 19053780
NPT2 Others Unspecified Ki = 2.3 nM 19053780
NPT306 Cell Line PC-3 Homo sapiens Ki = 25.8 nM 19053780
NPT2 Others Unspecified Ratio Ki = 0.12 19053780
NPT2 Others Unspecified Ratio Ki = 0.14 19053780
NPT306 Cell Line PC-3 Homo sapiens Activity < 10 % 19053780
NPT5625 Individual Protein 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus Ki = 16.4 nM 19053780
NPT3933 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus IC50 = 20.5 nM 19157884
NPT1067 Individual Protein Sigma opioid receptor Rattus norvegicus Ki = 2 nM 19673530
NPT5625 Individual Protein 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus Ki = 10.2 nM 19842660
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens Ratio = 0.06 20692832
NPT2 Others Unspecified Ratio = 0.87 20692832
NPT3929 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2A Homo sapiens Ratio = 0.77 20692832
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens Inhibition = 0.94 % 20692832
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens IC50 = 190 nM 20692832
NPT2 Others Unspecified Activity = 63 % 17417631
NPT2 Others Unspecified EC50 = 206 nM 17417631
NPT2 Others Unspecified EC50 = 420 nM 17417631
NPT2 Others Unspecified EC50 = 1990 nM 17417631
NPT3933 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus Ki = 20 nM 20875744
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens Ki = 10 nM 20965739
NPT1070 Individual Protein Sigma-1 receptor Cavia porcellus Ki = 125 nM 20965739
NPT2 Others Unspecified Ki = 98.3 nM 20965739
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae Potency = 16360.1 nM PubChem BioAssay data set
NPT537 Individual Protein Ras-related protein Rab-9A Homo sapiens Potency = 58047.9 nM PubChem BioAssay data set
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 10399.2 nM PubChem BioAssay data set
NPT940 Individual Protein Serine/threonine-protein kinase mTOR Homo sapiens Potency = 11668.1 nM PubChem BioAssay data set
NPT98 Individual Protein HERG Homo sapiens IC50 = 100 nM 21185626
NPT61 Individual Protein Beta-glucocerebrosidase Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 12990 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 281.8 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 326.4 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 631 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29092.9 nM PubChem BioAssay data set
NPT64 Individual Protein ATPase family AAA domain-containing protein 5 Homo sapiens Potency 18348.9 nM PubChem BioAssay data set
NPT242 Individual Protein Dopamine D1 receptor Homo sapiens Potency 11220.2 nM PubChem BioAssay data set
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens IC50 = 177.4 nM 21453995
NPT3929 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2A Homo sapiens Inhibition = 22.27 % 21453995
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens IC50 = 340 nM 21453995
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens IC50 = 66 nM 21453995
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 28183.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 19011.5 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 2133.1 nM PubChem BioAssay data set
NPT71 Cell Line HEK293 Homo sapiens Potency 23099.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 20587.8 nM PubChem BioAssay data set
NPT519 Cell Line SH-SY5Y Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT5625 Individual Protein 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Cavia porcellus Ki = 15 nM 22075234
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 25574.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 36125.4 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 37585.7 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 29855.4 nM PubChem BioAssay data set
NPT478 Individual Protein Ataxin-2 Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT5858 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Mus musculus Activity = 79 % 23140383
NPT5858 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Mus musculus Activity = 153 % 23140383
NPT3933 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus IC50 = 20 nM 23140383
NPT519 Cell Line SH-SY5Y Homo sapiens IC50 = 0.73 nM 23033965
NPT3933 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus Ki = 29 nM 23033965
NPT2 Others Unspecified Ki = 3080 nM 23033965
NPT2 Others Unspecified Ratio IC50 = 200 23458846
NPT2 Others Unspecified IC50 = 3500 nM 23458846
NPT3930 Protein Complex Glutamate NMDA receptor; GRIN1/GRIN2B Homo sapiens IC50 = 340 nM 23458846
NPT2 Others Unspecified Potency 21136 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8414.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Ratio Ki = 0.05 24290063
NPT2 Others Unspecified Ki = 18.8 nM 24290063
NPT1070 Individual Protein Sigma-1 receptor Cavia porcellus Ki = 1.02 nM 24290063
NPT3933 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus Ki = 19 nM 24290063
NPT3933 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus IC50 = 20 nM 24411196
NPT5859 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Homo sapiens IC50 = 20 nM 24411196
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5353.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21131.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 31210 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 23710.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 334.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2113.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 10000 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 237.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 668.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2818.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT1070 Individual Protein Sigma-1 receptor Cavia porcellus Ki = 125 nM 25458498
NPT5859 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Homo sapiens Ki = 10 nM 25458498
NPT2 Others Unspecified Ki = 98.3 nM 25458498
NPT2 Others Unspecified AC50 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 17782.8 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 28183.8 nM PubChem BioAssay data set
NPT3933 Individual Protein Glutamate [NMDA] receptor subunit epsilon 2 Rattus norvegicus IC50 = 47 nM 26912202

  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 NPC307020 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
0.8547 High Similarity NPC65855
0.8547 High Similarity NPC292758
0.843 Intermediate Similarity NPC213
0.843 Intermediate Similarity NPC10286
0.8168 Intermediate Similarity NPC89769
0.8168 Intermediate Similarity NPC126859
0.8168 Intermediate Similarity NPC259665
0.8154 Intermediate Similarity NPC268763
0.8154 Intermediate Similarity NPC66177
0.8154 Intermediate Similarity NPC8305
0.8083 Intermediate Similarity NPC290566
0.8083 Intermediate Similarity NPC145638
0.8065 Intermediate Similarity NPC82963
0.8017 Intermediate Similarity NPC289381
0.8017 Intermediate Similarity NPC214200
0.8017 Intermediate Similarity NPC228400
0.8017 Intermediate Similarity NPC155847
0.8 Intermediate Similarity NPC38458
0.8 Intermediate Similarity NPC311737
0.797 Intermediate Similarity NPC257390
0.7955 Intermediate Similarity NPC124802
0.7931 Intermediate Similarity NPC216468
0.7931 Intermediate Similarity NPC78119
0.7931 Intermediate Similarity NPC51333
0.7931 Intermediate Similarity NPC132078
0.7923 Intermediate Similarity NPC95733
0.7923 Intermediate Similarity NPC62101
0.7903 Intermediate Similarity NPC118202
0.7869 Intermediate Similarity NPC474149
0.7863 Intermediate Similarity NPC29477
0.7863 Intermediate Similarity NPC213730
0.7851 Intermediate Similarity NPC24101
0.7851 Intermediate Similarity NPC96224
0.784 Intermediate Similarity NPC317254
0.7829 Intermediate Similarity NPC474862
0.7812 Intermediate Similarity NPC321133
0.7797 Intermediate Similarity NPC7686
0.7797 Intermediate Similarity NPC40258
0.7797 Intermediate Similarity NPC91461
0.7759 Intermediate Similarity NPC473388
0.775 Intermediate Similarity NPC154899
0.775 Intermediate Similarity NPC233396
0.7742 Intermediate Similarity NPC290353
0.7742 Intermediate Similarity NPC42911
0.7742 Intermediate Similarity NPC153795
0.7717 Intermediate Similarity NPC137096
0.771 Intermediate Similarity NPC211218
0.7705 Intermediate Similarity NPC153690
0.7698 Intermediate Similarity NPC150712
0.7686 Intermediate Similarity NPC92623
0.7686 Intermediate Similarity NPC231705
0.7686 Intermediate Similarity NPC135464
0.7672 Intermediate Similarity NPC26244
0.7672 Intermediate Similarity NPC313650
0.7669 Intermediate Similarity NPC322366
0.7669 Intermediate Similarity NPC323775
0.7669 Intermediate Similarity NPC305717
0.7669 Intermediate Similarity NPC236347
0.7647 Intermediate Similarity NPC149379
0.7643 Intermediate Similarity NPC168861
0.7642 Intermediate Similarity NPC265211
0.7642 Intermediate Similarity NPC306045
0.7642 Intermediate Similarity NPC258056
0.7626 Intermediate Similarity NPC193528
0.7623 Intermediate Similarity NPC142297
0.7597 Intermediate Similarity NPC283760
0.7586 Intermediate Similarity NPC151715
0.7583 Intermediate Similarity NPC178902
0.7581 Intermediate Similarity NPC475018
0.7576 Intermediate Similarity NPC285394
0.7571 Intermediate Similarity NPC476989
0.7569 Intermediate Similarity NPC245974
0.7563 Intermediate Similarity NPC294741
0.7554 Intermediate Similarity NPC473055
0.7554 Intermediate Similarity NPC473052
0.754 Intermediate Similarity NPC123175
0.754 Intermediate Similarity NPC176730
0.7537 Intermediate Similarity NPC218323
0.7536 Intermediate Similarity NPC473360
0.7521 Intermediate Similarity NPC304761
0.7521 Intermediate Similarity NPC226778
0.7521 Intermediate Similarity NPC150254
0.7521 Intermediate Similarity NPC147000
0.7519 Intermediate Similarity NPC171372
0.7518 Intermediate Similarity NPC208757
0.7518 Intermediate Similarity NPC189724
0.7518 Intermediate Similarity NPC212850
0.7518 Intermediate Similarity NPC83289
0.7518 Intermediate Similarity NPC251439
0.7517 Intermediate Similarity NPC473491
0.75 Intermediate Similarity NPC138117
0.75 Intermediate Similarity NPC325292
0.75 Intermediate Similarity NPC301651
0.75 Intermediate Similarity NPC185838
0.75 Intermediate Similarity NPC473556
0.75 Intermediate Similarity NPC322526
0.748 Intermediate Similarity NPC120280
0.748 Intermediate Similarity NPC12656
0.7462 Intermediate Similarity NPC43275
0.7459 Intermediate Similarity NPC211551
0.7458 Intermediate Similarity NPC132271
0.7458 Intermediate Similarity NPC292730
0.7458 Intermediate Similarity NPC216520
0.7458 Intermediate Similarity NPC82664
0.7451 Intermediate Similarity NPC107938
0.7451 Intermediate Similarity NPC294516
0.7447 Intermediate Similarity NPC219233
0.7447 Intermediate Similarity NPC170170
0.7447 Intermediate Similarity NPC211468
0.7442 Intermediate Similarity NPC476266
0.744 Intermediate Similarity NPC63345
0.7431 Intermediate Similarity NPC247298
0.7419 Intermediate Similarity NPC262365
0.7414 Intermediate Similarity NPC45040
0.7413 Intermediate Similarity NPC266741
0.7405 Intermediate Similarity NPC115627
0.7405 Intermediate Similarity NPC118522
0.7405 Intermediate Similarity NPC169207
0.7403 Intermediate Similarity NPC169743
0.7397 Intermediate Similarity NPC476151
0.7397 Intermediate Similarity NPC179825
0.7397 Intermediate Similarity NPC321505
0.7397 Intermediate Similarity NPC191376
0.7394 Intermediate Similarity NPC323123
0.7377 Intermediate Similarity NPC323810
0.7376 Intermediate Similarity NPC14600
0.7376 Intermediate Similarity NPC214988
0.7376 Intermediate Similarity NPC160607
0.7376 Intermediate Similarity NPC204848
0.7376 Intermediate Similarity NPC41473
0.7376 Intermediate Similarity NPC312770
0.7361 Intermediate Similarity NPC81026
0.736 Intermediate Similarity NPC62258
0.736 Intermediate Similarity NPC55617
0.7357 Intermediate Similarity NPC64205
0.7355 Intermediate Similarity NPC327226
0.7353 Intermediate Similarity NPC296712
0.7348 Intermediate Similarity NPC56634
0.7347 Intermediate Similarity NPC147390
0.7347 Intermediate Similarity NPC135538
0.7347 Intermediate Similarity NPC24233
0.7347 Intermediate Similarity NPC476571
0.7347 Intermediate Similarity NPC428
0.7347 Intermediate Similarity NPC246587
0.7344 Intermediate Similarity NPC473137
0.7338 Intermediate Similarity NPC325568
0.7333 Intermediate Similarity NPC128723
0.7333 Intermediate Similarity NPC92730
0.7333 Intermediate Similarity NPC125732
0.7328 Intermediate Similarity NPC300017
0.7328 Intermediate Similarity NPC300478
0.7328 Intermediate Similarity NPC268572
0.7325 Intermediate Similarity NPC476227
0.7324 Intermediate Similarity NPC197921
0.7323 Intermediate Similarity NPC228425
0.7319 Intermediate Similarity NPC326966
0.7319 Intermediate Similarity NPC45191
0.7317 Intermediate Similarity NPC474839
0.731 Intermediate Similarity NPC16188
0.7308 Intermediate Similarity NPC283468
0.7308 Intermediate Similarity NPC150879
0.7308 Intermediate Similarity NPC230611
0.7302 Intermediate Similarity NPC321252
0.7302 Intermediate Similarity NPC120982
0.7302 Intermediate Similarity NPC79793
0.7302 Intermediate Similarity NPC147634
0.7302 Intermediate Similarity NPC252544
0.7302 Intermediate Similarity NPC174096
0.7302 Intermediate Similarity NPC44732
0.7302 Intermediate Similarity NPC226401
0.7297 Intermediate Similarity NPC103379
0.7297 Intermediate Similarity NPC477565
0.7293 Intermediate Similarity NPC469686
0.729 Intermediate Similarity NPC134858
0.7288 Intermediate Similarity NPC128062
0.7285 Intermediate Similarity NPC244336
0.728 Intermediate Similarity NPC11554
0.728 Intermediate Similarity NPC61885
0.728 Intermediate Similarity NPC63698
0.7279 Intermediate Similarity NPC476353
0.7273 Intermediate Similarity NPC91953
0.7273 Intermediate Similarity NPC469360
0.7273 Intermediate Similarity NPC263835
0.7266 Intermediate Similarity NPC244866
0.7266 Intermediate Similarity NPC328070
0.7266 Intermediate Similarity NPC118419
0.7261 Intermediate Similarity NPC273755
0.7261 Intermediate Similarity NPC306804
0.7258 Intermediate Similarity NPC113457
0.7258 Intermediate Similarity NPC271274
0.7255 Intermediate Similarity NPC59028
0.7255 Intermediate Similarity NPC92191
0.7254 Intermediate Similarity NPC471201
0.7252 Intermediate Similarity NPC122009
0.7252 Intermediate Similarity NPC469609
0.7252 Intermediate Similarity NPC471671
0.725 Intermediate Similarity NPC226096
0.725 Intermediate Similarity NPC164514
0.725 Intermediate Similarity NPC474073
0.725 Intermediate Similarity NPC225464

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307020 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 NPD4659 Approved
0.9664 High Similarity NPD4103 Phase 2
0.9664 High Similarity NPD4104 Clinical (unspecified phase)
0.9487 High Similarity NPD5238 Clinical (unspecified phase)
0.9091 High Similarity NPD2562 Approved
0.9091 High Similarity NPD2561 Approved
0.8595 High Similarity NPD317 Approved
0.8595 High Similarity NPD16 Approved
0.8595 High Similarity NPD318 Approved
0.8595 High Similarity NPD856 Approved
0.8548 High Similarity NPD5351 Clinical (unspecified phase)
0.8548 High Similarity NPD5350 Clinical (unspecified phase)
0.8417 Intermediate Similarity NPD2234 Approved
0.8417 Intermediate Similarity NPD2228 Approved
0.8417 Intermediate Similarity NPD2229 Approved
0.8376 Intermediate Similarity NPD4095 Clinical (unspecified phase)
0.8374 Intermediate Similarity NPD5304 Approved
0.8374 Intermediate Similarity NPD5303 Approved
0.8346 Intermediate Similarity NPD3553 Approved
0.8346 Intermediate Similarity NPD3554 Approved
0.8346 Intermediate Similarity NPD3555 Approved
0.8346 Intermediate Similarity NPD3552 Approved
0.8306 Intermediate Similarity NPD4093 Discontinued
0.8281 Intermediate Similarity NPD1133 Approved
0.8281 Intermediate Similarity NPD1131 Approved
0.8281 Intermediate Similarity NPD1134 Approved
0.8281 Intermediate Similarity NPD1135 Approved
0.8281 Intermediate Similarity NPD1129 Approved
0.8271 Intermediate Similarity NPD3054 Approved
0.8271 Intermediate Similarity NPD3052 Approved
0.8271 Intermediate Similarity NPD2568 Approved
0.8182 Intermediate Similarity NPD6405 Approved
0.8182 Intermediate Similarity NPD6407 Approved
0.8168 Intermediate Similarity NPD5156 Approved
0.8168 Intermediate Similarity NPD5155 Approved
0.8167 Intermediate Similarity NPD4025 Clinical (unspecified phase)
0.8154 Intermediate Similarity NPD3635 Approved
0.8154 Intermediate Similarity NPD3636 Approved
0.8154 Intermediate Similarity NPD3637 Approved
0.8134 Intermediate Similarity NPD823 Approved
0.8134 Intermediate Similarity NPD817 Approved
0.8103 Intermediate Similarity NPD854 Approved
0.8103 Intermediate Similarity NPD855 Approved
0.8092 Intermediate Similarity NPD2605 Approved
0.8092 Intermediate Similarity NPD2606 Approved
0.8083 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD6775 Clinical (unspecified phase)
0.8029 Intermediate Similarity NPD4721 Approved
0.8029 Intermediate Similarity NPD4726 Approved
0.8029 Intermediate Similarity NPD4725 Approved
0.8015 Intermediate Similarity NPD1753 Discontinued
0.7985 Intermediate Similarity NPD3061 Approved
0.7985 Intermediate Similarity NPD3062 Approved
0.7985 Intermediate Similarity NPD3059 Approved
0.797 Intermediate Similarity NPD597 Approved
0.797 Intermediate Similarity NPD598 Approved
0.797 Intermediate Similarity NPD601 Approved
0.7955 Intermediate Similarity NPD3595 Approved
0.7955 Intermediate Similarity NPD3594 Approved
0.7934 Intermediate Similarity NPD1792 Phase 2
0.7923 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.791 Intermediate Similarity NPD1136 Approved
0.791 Intermediate Similarity NPD1132 Approved
0.791 Intermediate Similarity NPD1130 Approved
0.7869 Intermediate Similarity NPD4254 Approved
0.7869 Intermediate Similarity NPD4253 Approved
0.7868 Intermediate Similarity NPD5314 Approved
0.7846 Intermediate Similarity NPD6583 Phase 3
0.7846 Intermediate Similarity NPD6582 Phase 2
0.7836 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD1444 Approved
0.7833 Intermediate Similarity NPD1445 Approved
0.7817 Intermediate Similarity NPD7213 Phase 3
0.7817 Intermediate Similarity NPD7212 Phase 2
0.7812 Intermediate Similarity NPD2668 Approved
0.7812 Intermediate Similarity NPD2667 Approved
0.7803 Intermediate Similarity NPD602 Approved
0.7803 Intermediate Similarity NPD599 Approved
0.7795 Intermediate Similarity NPD316 Approved
0.7795 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD829 Discontinued
0.7752 Intermediate Similarity NPD3421 Phase 3
0.7731 Intermediate Similarity NPD4656 Approved
0.7731 Intermediate Similarity NPD4658 Approved
0.7731 Intermediate Similarity NPD4229 Approved
0.7731 Intermediate Similarity NPD4231 Approved
0.7727 Intermediate Similarity NPD3053 Approved
0.7727 Intermediate Similarity NPD3055 Approved
0.7717 Intermediate Similarity NPD9613 Approved
0.7717 Intermediate Similarity NPD9615 Approved
0.7717 Intermediate Similarity NPD9616 Approved
0.7703 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD3974 Phase 2
0.7676 Intermediate Similarity NPD5241 Discontinued
0.7674 Intermediate Similarity NPD5723 Approved
0.7674 Intermediate Similarity NPD1751 Approved
0.7674 Intermediate Similarity NPD7725 Approved
0.7672 Intermediate Similarity NPD2860 Approved
0.7672 Intermediate Similarity NPD2859 Approved
0.7669 Intermediate Similarity NPD9621 Approved
0.7669 Intermediate Similarity NPD858 Approved
0.7669 Intermediate Similarity NPD6584 Phase 3
0.7669 Intermediate Similarity NPD859 Approved
0.7669 Intermediate Similarity NPD9620 Approved
0.7669 Intermediate Similarity NPD9619 Approved
0.7667 Intermediate Similarity NPD9610 Approved
0.7667 Intermediate Similarity NPD9608 Approved
0.766 Intermediate Similarity NPD3638 Discontinued
0.766 Intermediate Similarity NPD3060 Approved
0.7639 Intermediate Similarity NPD7447 Phase 1
0.7639 Intermediate Similarity NPD3536 Discontinued
0.7627 Intermediate Similarity NPD3020 Approved
0.7619 Intermediate Similarity NPD9614 Approved
0.7619 Intermediate Similarity NPD9618 Approved
0.7591 Intermediate Similarity NPD6346 Approved
0.7591 Intermediate Similarity NPD2238 Phase 2
0.7586 Intermediate Similarity NPD2934 Approved
0.7586 Intermediate Similarity NPD2933 Approved
0.7576 Intermediate Similarity NPD5157 Phase 1
0.7576 Intermediate Similarity NPD5159 Phase 2
0.7576 Intermediate Similarity NPD9622 Approved
0.7576 Intermediate Similarity NPD5158 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD2200 Suspended
0.7541 Intermediate Similarity NPD811 Approved
0.7541 Intermediate Similarity NPD812 Approved
0.7541 Intermediate Similarity NPD3526 Approved
0.7541 Intermediate Similarity NPD810 Approved
0.7541 Intermediate Similarity NPD3524 Approved
0.7537 Intermediate Similarity NPD7451 Discontinued
0.7535 Intermediate Similarity NPD5177 Phase 3
0.7535 Intermediate Similarity NPD4236 Phase 3
0.7535 Intermediate Similarity NPD4237 Approved
0.7521 Intermediate Similarity NPD309 Approved
0.7521 Intermediate Similarity NPD310 Approved
0.7521 Intermediate Similarity NPD10 Approved
0.7521 Intermediate Similarity NPD314 Approved
0.7521 Intermediate Similarity NPD315 Approved
0.7521 Intermediate Similarity NPD311 Approved
0.752 Intermediate Similarity NPD4571 Approved
0.752 Intermediate Similarity NPD4573 Approved
0.752 Intermediate Similarity NPD4572 Approved
0.7519 Intermediate Similarity NPD2227 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6666 Approved
0.75 Intermediate Similarity NPD6667 Approved
0.75 Intermediate Similarity NPD4719 Phase 2
0.75 Intermediate Similarity NPD4818 Approved
0.75 Intermediate Similarity NPD3596 Phase 2
0.75 Intermediate Similarity NPD4817 Approved
0.748 Intermediate Similarity NPD1793 Approved
0.748 Intermediate Similarity NPD1791 Approved
0.7463 Intermediate Similarity NPD4098 Discontinued
0.7462 Intermediate Similarity NPD1710 Approved
0.7438 Intermediate Similarity NPD3683 Approved
0.7438 Intermediate Similarity NPD3681 Approved
0.7431 Intermediate Similarity NPD8131 Suspended
0.7405 Intermediate Similarity NPD9384 Approved
0.7405 Intermediate Similarity NPD9381 Approved
0.74 Intermediate Similarity NPD4227 Discontinued
0.7394 Intermediate Similarity NPD7030 Discontinued
0.7388 Intermediate Similarity NPD5310 Approved
0.7388 Intermediate Similarity NPD5311 Approved
0.7385 Intermediate Similarity NPD6580 Approved
0.7385 Intermediate Similarity NPD6581 Approved
0.7372 Intermediate Similarity NPD3136 Phase 2
0.7368 Intermediate Similarity NPD2230 Approved
0.7368 Intermediate Similarity NPD2232 Approved
0.7368 Intermediate Similarity NPD2233 Approved
0.7361 Intermediate Similarity NPD3400 Discontinued
0.7357 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7343 Intermediate Similarity NPD7037 Approved
0.7343 Intermediate Similarity NPD4256 Phase 2
0.7343 Intermediate Similarity NPD4257 Approved
0.7338 Intermediate Similarity NPD3110 Approved
0.7338 Intermediate Similarity NPD3109 Approved
0.7329 Intermediate Similarity NPD2421 Approved
0.7329 Intermediate Similarity NPD2420 Approved
0.7328 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7328 Intermediate Similarity NPD6382 Discontinued
0.7319 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD1755 Approved
0.7313 Intermediate Similarity NPD6025 Phase 1
0.731 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD7522 Discontinued
0.7299 Intermediate Similarity NPD5202 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD3680 Approved
0.7295 Intermediate Similarity NPD3682 Approved
0.7279 Intermediate Similarity NPD7018 Phase 2
0.7279 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD3645 Discontinued
0.7273 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6809 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5865 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD5745 Approved
0.726 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD9609 Approved
0.725 Intermediate Similarity NPD9612 Approved
0.725 Intermediate Similarity NPD9611 Approved
0.7246 Intermediate Similarity NPD3180 Approved
0.7246 Intermediate Similarity NPD3165 Approved
0.7246 Intermediate Similarity NPD3179 Approved

Structure

External Identifiers

PubChem CID   3689
ChEMBL   CHEMBL305187
ZINC  

Physicochemical Properties

Molecular Weight:  325.20
ALogP:  -1.4946
MLogP:  3.44
XLogP:  6.011
# Rotatable Bonds:  8
Polar Surface Area:  43.7
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  24

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Source Organisms  
Biological Activities  
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