Natural Product: NPC476465

Natural Product ID:  NPC476465
Common Name:   Tegaserod
IUPAC Name:  
Synonyms:   HTF-919; SDZ-HTF-919; Tegaserod; Zelmac
Molecular Formula:   C16H23N5O
Standard InCHIKey:  IKBKZGMPCYNSLU-RGVLZGJSSA-N
Standard InCHI:  InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+
Canonical SMILES:  CCCCCNC(=N)N/N=C/c1c[nH]c2c1cc(OC)cc2
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
NPO5772 Geodia barretti Species Geodiidae Eukaryota PMID[17067154]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens EC50 = 1.995 nM PubChem BioAssay data set
NPT98 Individual Protein HERG Homo sapiens Inhibition = 33 % 1791475
NPT2 Others Unspecified IC50 3131.8 nM 11325244
NPT293 Individual Protein Serotonin 4 (5-HT4) receptor Cavia porcellus EC50 = 6.31 nM 17480098
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.0106 mg/kg 9644063
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens EC50 = 2.512 nM 3404149
NPT2 Others Unspecified Potency 33488.9 nM 17125221
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 2.43 mg/kg 17190442
NPT2 Others Unspecified Ratio Ki = 580 26241103
NPT2 Others Unspecified Potency 26832.5 nM 17125239
NPT425 Individual Protein Serotonin 3a (5-HT3a) receptor Homo sapiens Ki = 2511.89 nM 18672861
NPT2 Others Unspecified Potency 33488.9 nM 21481593
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 23914.5 nM 22079864
NPT2 Others Unspecified AC50 3981.1 nM Open TG-GATES in vivo data: Biochemistry
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens Ki = 3.981 nM 18039010
NPT425 Individual Protein Serotonin 3a (5-HT3a) receptor Homo sapiens Ki > 10000 nM 17845002
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki < 100 nM PubChem BioAssay data set
NPT1785 Individual Protein Serotonin 7 (5-HT7) receptor Homo sapiens Ki < 100 nM PubChem BioAssay data set
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens Ki < 1.995 nM PubChem BioAssay data set
NPT974 Individual Protein Serotonin 1d (5-HT1d) receptor Homo sapiens Ki < 100 nM PubChem BioAssay data set
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Ki < 100 nM PubChem BioAssay data set
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens Ki = 31 nM 21123165
NPT2 Others Unspecified IC50 40000 nM 24387625
NPT2 Others Unspecified IC50 16844.2 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified Potency 26832.5 nM 15161186
NPT293 Individual Protein Serotonin 4 (5-HT4) receptor Cavia porcellus EC50 = 12.59 nM PubChem BioAssay data set
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens EC50 = 1 nM 10924160
NPT2 Others Unspecified Potency 29855.4 nM 25080196
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens EC50 = 15.85 nM 25302529
NPT293 Individual Protein Serotonin 4 (5-HT4) receptor Cavia porcellus EC50 = 6.31 nM 25302529
NPT2 Others Unspecified AC50 3162.3 nM 23734721
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.011 mg/kg 20028081
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 33488.9 nM 22652254
NPT98 Individual Protein HERG Homo sapiens Inhibition = 33 % 10.1584/jpestics.22.187
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 33488.9 nM 22850207
NPT2 Others Unspecified Potency 8412 nM 22939698
NPT2 Others Unspecified Potency 23914.5 nM 12762820
NPT2 Others Unspecified Potency 7562.4 nM 19482384
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 29847 nM 18955526
NPT2 Others Unspecified Potency 29849.3 nM DrugMatrix in vitro pharmacology data
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens Ki = 3.981 nM 10.1007/s00044-012-0220-x
NPT2 Others Unspecified Potency 26603.2 nM 11908959
NPT2 Others Unspecified Potency 29847 nM 25437914
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 26832.5 nM 15974617
NPT2 Others Unspecified Potency 13332.2 nM 11087591
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency 18105.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13332.2 nM 26034885
NPT2 Others Unspecified Potency 13448.1 nM 19674905
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 3013.1 nM 10395485
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 18832.2 nM 17411092
NPT2 Others Unspecified Potency 33488.9 nM 19036584
NPT2 Others Unspecified Potency 22387.2 nM 22682920
NPT2 Others Unspecified IC50 10858.56 nM 1431940
NPT2 Others Unspecified Potency 16930.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 33491.5 nM 18955514
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 0.0106 mg/kg 24467317
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens Ki = 3.981 nM 24467317
NPT293 Individual Protein Serotonin 4 (5-HT4) receptor Cavia porcellus Activity = 6.9 pD2 23758051
NPT2 Others Unspecified Potency 29847 nM 21643465
NPT2 Others Unspecified Potency 26832.5 nM 25856683
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 3013.1 nM 17261619
NPT2 Others Unspecified Potency 33488.9 nM 18710917
NPT2 Others Unspecified Potency 10590.1 nM 10514310
NPT2 Others Unspecified IC50 7174.71 nM 22515429
NPT2 Others Unspecified AC50 7943.3 nM 19654408
NPT2 Others Unspecified Ratio Ki = 580 19654408
NPT2 Others Unspecified Potency 29849.3 nM 20361780
NPT2 Others Unspecified Potency 33491.5 nM 20795741
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens EC50 = 2.512 nM 17189664
NPT98 Individual Protein HERG Homo sapiens Inhibition = 33 % 18694945
NPT4011 Individual Protein Serotonin 4 (5-HT4) receptor Homo sapiens Ki = 3.981 nM DrugMatrix in vivo data: Pathology
NPT2 Others Unspecified Potency 16930.1 nM DrugMatrix in vivo data: Pathology
NPT2 Others Unspecified Potency 13333.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 29847 nM 17296744

  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 NPC476465 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
0.913 High Similarity NPC76748
0.9081 High Similarity NPC92111
0.9076 High Similarity NPC296527
0.8984 High Similarity NPC307963
0.8691 High Similarity NPC251090
0.8513 High Similarity NPC176538
0.8404 Intermediate Similarity NPC176127
0.8368 Intermediate Similarity NPC171171
0.836 Intermediate Similarity NPC204717
0.8316 Intermediate Similarity NPC314002
0.8308 Intermediate Similarity NPC13880
0.8307 Intermediate Similarity NPC220765
0.8284 Intermediate Similarity NPC266931
0.8276 Intermediate Similarity NPC208284
0.8154 Intermediate Similarity NPC99666
0.8146 Intermediate Similarity NPC316981
0.8095 Intermediate Similarity NPC184964
0.8069 Intermediate Similarity NPC285558
0.805 Intermediate Similarity NPC329793
0.801 Intermediate Similarity NPC232727
0.7981 Intermediate Similarity NPC470549
0.796 Intermediate Similarity NPC315957
0.796 Intermediate Similarity NPC121772
0.7943 Intermediate Similarity NPC170114
0.794 Intermediate Similarity NPC242209
0.7931 Intermediate Similarity NPC245816
0.7931 Intermediate Similarity NPC476138
0.79 Intermediate Similarity NPC156704
0.79 Intermediate Similarity NPC77555
0.7887 Intermediate Similarity NPC84478
0.7871 Intermediate Similarity NPC19872
0.7808 Intermediate Similarity NPC180504
0.7788 Intermediate Similarity NPC167860
0.7788 Intermediate Similarity NPC123976
0.7766 Intermediate Similarity NPC46580
0.7727 Intermediate Similarity NPC32771
0.7718 Intermediate Similarity NPC475070
0.7714 Intermediate Similarity NPC26679
0.7711 Intermediate Similarity NPC131017
0.7703 Intermediate Similarity NPC471304
0.7703 Intermediate Similarity NPC11464
0.7696 Intermediate Similarity NPC315491
0.7696 Intermediate Similarity NPC45459
0.767 Intermediate Similarity NPC475774
0.767 Intermediate Similarity NPC223427
0.7662 Intermediate Similarity NPC106937
0.7656 Intermediate Similarity NPC185782
0.761 Intermediate Similarity NPC329747
0.761 Intermediate Similarity NPC213308
0.7608 Intermediate Similarity NPC82548
0.7604 Intermediate Similarity NPC130570
0.7593 Intermediate Similarity NPC310118
0.7593 Intermediate Similarity NPC473317
0.7585 Intermediate Similarity NPC162484
0.7581 Intermediate Similarity NPC193267
0.7581 Intermediate Similarity NPC213530
0.7569 Intermediate Similarity NPC125597
0.755 Intermediate Similarity NPC242928
0.7547 Intermediate Similarity NPC94157
0.7537 Intermediate Similarity NPC326634
0.7536 Intermediate Similarity NPC5145
0.7523 Intermediate Similarity NPC469554
0.7513 Intermediate Similarity NPC131718
0.7512 Intermediate Similarity NPC476287
0.7512 Intermediate Similarity NPC477610
0.7512 Intermediate Similarity NPC478074
0.75 Intermediate Similarity NPC295228
0.75 Intermediate Similarity NPC74360
0.75 Intermediate Similarity NPC222018
0.7476 Intermediate Similarity NPC88008
0.7476 Intermediate Similarity NPC193777
0.7464 Intermediate Similarity NPC264166
0.7464 Intermediate Similarity NPC274291
0.7464 Intermediate Similarity NPC47059
0.7464 Intermediate Similarity NPC118832
0.7464 Intermediate Similarity NPC165349
0.7464 Intermediate Similarity NPC329708
0.7454 Intermediate Similarity NPC96321
0.7452 Intermediate Similarity NPC135887
0.7452 Intermediate Similarity NPC199277
0.7449 Intermediate Similarity NPC96890
0.7444 Intermediate Similarity NPC101543
0.7442 Intermediate Similarity NPC8022
0.7442 Intermediate Similarity NPC470799
0.744 Intermediate Similarity NPC234197
0.7438 Intermediate Similarity NPC133140
0.7438 Intermediate Similarity NPC195268
0.7435 Intermediate Similarity NPC102423
0.7435 Intermediate Similarity NPC311276
0.7431 Intermediate Similarity NPC60621
0.7424 Intermediate Similarity NPC474798
0.7421 Intermediate Similarity NPC110151
0.7421 Intermediate Similarity NPC157931
0.7411 Intermediate Similarity NPC88363
0.7407 Intermediate Similarity NPC476041
0.7407 Intermediate Similarity NPC304926
0.7402 Intermediate Similarity NPC84853
0.7398 Intermediate Similarity NPC224764
0.7397 Intermediate Similarity NPC280272
0.7391 Intermediate Similarity NPC287437
0.7387 Intermediate Similarity NPC314954
0.7385 Intermediate Similarity NPC313791
0.7383 Intermediate Similarity NPC128084
0.7379 Intermediate Similarity NPC70956
0.7379 Intermediate Similarity NPC243834
0.7379 Intermediate Similarity NPC267928
0.7373 Intermediate Similarity NPC477609
0.7368 Intermediate Similarity NPC230869
0.7358 Intermediate Similarity NPC475910
0.7358 Intermediate Similarity NPC160105
0.7358 Intermediate Similarity NPC171787
0.7356 Intermediate Similarity NPC249040
0.7353 Intermediate Similarity NPC324149
0.735 Intermediate Similarity NPC284678
0.7346 Intermediate Similarity NPC45190
0.7346 Intermediate Similarity NPC472111
0.7346 Intermediate Similarity NPC300156
0.7343 Intermediate Similarity NPC72211
0.734 Intermediate Similarity NPC469763
0.734 Intermediate Similarity NPC25008
0.734 Intermediate Similarity NPC469760
0.734 Intermediate Similarity NPC73952
0.734 Intermediate Similarity NPC469786
0.734 Intermediate Similarity NPC469765
0.734 Intermediate Similarity NPC259644
0.7339 Intermediate Similarity NPC292958
0.733 Intermediate Similarity NPC194967
0.733 Intermediate Similarity NPC70259
0.7324 Intermediate Similarity NPC201697
0.7323 Intermediate Similarity NPC42979
0.7313 Intermediate Similarity NPC163421
0.7313 Intermediate Similarity NPC188387
0.7308 Intermediate Similarity NPC128823
0.7308 Intermediate Similarity NPC476167
0.7308 Intermediate Similarity NPC476582
0.7308 Intermediate Similarity NPC476578
0.7308 Intermediate Similarity NPC4071
0.7306 Intermediate Similarity NPC472099
0.7306 Intermediate Similarity NPC132642
0.7302 Intermediate Similarity NPC80597
0.7302 Intermediate Similarity NPC75540
0.7302 Intermediate Similarity NPC212376
0.7302 Intermediate Similarity NPC70922
0.7302 Intermediate Similarity NPC219087
0.7302 Intermediate Similarity NPC211572
0.7291 Intermediate Similarity NPC128751
0.7291 Intermediate Similarity NPC246700
0.7285 Intermediate Similarity NPC122436
0.7282 Intermediate Similarity NPC43787
0.7282 Intermediate Similarity NPC205934
0.7281 Intermediate Similarity NPC11408
0.7273 Intermediate Similarity NPC477019
0.7269 Intermediate Similarity NPC471080
0.7269 Intermediate Similarity NPC469592
0.7268 Intermediate Similarity NPC49954
0.7268 Intermediate Similarity NPC49217
0.7268 Intermediate Similarity NPC474561
0.7263 Intermediate Similarity NPC469785
0.7261 Intermediate Similarity NPC39092
0.7261 Intermediate Similarity NPC171393
0.7261 Intermediate Similarity NPC295452
0.726 Intermediate Similarity NPC192315
0.7255 Intermediate Similarity NPC106833
0.7255 Intermediate Similarity NPC469497
0.7249 Intermediate Similarity NPC26872
0.7243 Intermediate Similarity NPC80596
0.7243 Intermediate Similarity NPC476116
0.7237 Intermediate Similarity NPC15801
0.7236 Intermediate Similarity NPC72980
0.7234 Intermediate Similarity NPC105818
0.7234 Intermediate Similarity NPC24678
0.723 Intermediate Similarity NPC313189
0.7225 Intermediate Similarity NPC469762
0.7222 Intermediate Similarity NPC48353
0.722 Intermediate Similarity NPC153467
0.7217 Intermediate Similarity NPC16452
0.7217 Intermediate Similarity NPC217554
0.7217 Intermediate Similarity NPC476581
0.7217 Intermediate Similarity NPC36229
0.7208 Intermediate Similarity NPC314603
0.7202 Intermediate Similarity NPC177404
0.7202 Intermediate Similarity NPC282231
0.7189 Intermediate Similarity NPC162530
0.7188 Intermediate Similarity NPC478078
0.7184 Intermediate Similarity NPC477167
0.7184 Intermediate Similarity NPC473342
0.7183 Intermediate Similarity NPC323345
0.7183 Intermediate Similarity NPC470164
0.7166 Intermediate Similarity NPC143872
0.7163 Intermediate Similarity NPC174672
0.7163 Intermediate Similarity NPC174758
0.7163 Intermediate Similarity NPC473181
0.7156 Intermediate Similarity NPC311906
0.7156 Intermediate Similarity NPC267423
0.715 Intermediate Similarity NPC279918
0.715 Intermediate Similarity NPC321428
0.715 Intermediate Similarity NPC193238
0.7149 Intermediate Similarity NPC276657
0.7143 Intermediate Similarity NPC63751
0.7143 Intermediate Similarity NPC53069

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476465 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 NPD2189 Approved
1.0 High Similarity NPD2187 Approved
0.8984 High Similarity NPD1304 Clinical (unspecified phase)
0.8984 High Similarity NPD1038 Approved
0.8274 Intermediate Similarity NPD3825 Phase 3
0.8204 Intermediate Similarity NPD5612 Discontinued
0.8112 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.8107 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.809 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.8071 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.8069 Intermediate Similarity NPD4795 Phase 2
0.8048 Intermediate Similarity NPD6242 Discontinued
0.796 Intermediate Similarity NPD1740 Approved
0.796 Intermediate Similarity NPD1739 Approved
0.7897 Intermediate Similarity NPD3938 Phase 1
0.7837 Intermediate Similarity NPD949 Phase 1
0.7816 Intermediate Similarity NPD1392 Approved
0.78 Intermediate Similarity NPD1951 Clinical (unspecified phase)
0.7788 Intermediate Similarity NPD5559 Phase 2
0.7778 Intermediate Similarity NPD5658 Approved
0.7766 Intermediate Similarity NPD2190 Approved
0.7696 Intermediate Similarity NPD484 Approved
0.7692 Intermediate Similarity NPD5528 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD5529 Phase 1
0.7667 Intermediate Similarity NPD5067 Phase 2
0.7667 Intermediate Similarity NPD5066 Phase 2
0.7664 Intermediate Similarity NPD3402 Phase 1
0.7662 Intermediate Similarity NPD802 Phase 2
0.7635 Intermediate Similarity NPD7948 Phase 1
0.7632 Intermediate Similarity NPD4558 Phase 2
0.7604 Intermediate Similarity NPD5045 Phase 2
0.7581 Intermediate Similarity NPD3514 Clinical (unspecified phase)
0.757 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7537 Intermediate Similarity NPD4418 Discontinued
0.7512 Intermediate Similarity NPD3003 Approved
0.75 Intermediate Similarity NPD2482 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5044 Phase 2
0.7476 Intermediate Similarity NPD4548 Discontinued
0.7476 Intermediate Similarity NPD1768 Approved
0.7476 Intermediate Similarity NPD5999 Phase 2
0.7467 Intermediate Similarity NPD4344 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD4343 Phase 1
0.7464 Intermediate Similarity NPD4034 Approved
0.7464 Intermediate Similarity NPD31 Approved
0.7464 Intermediate Similarity NPD4038 Approved
0.7464 Intermediate Similarity NPD4035 Approved
0.7464 Intermediate Similarity NPD4122 Approved
0.7464 Intermediate Similarity NPD32 Approved
0.7464 Intermediate Similarity NPD4039 Approved
0.7464 Intermediate Similarity NPD4036 Approved
0.7464 Intermediate Similarity NPD4037 Approved
0.7464 Intermediate Similarity NPD4033 Approved
0.7463 Intermediate Similarity NPD2952 Discontinued
0.7455 Intermediate Similarity NPD7051 Phase 3
0.7455 Intermediate Similarity NPD7050 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD3924 Approved
0.7438 Intermediate Similarity NPD3923 Approved
0.7438 Intermediate Similarity NPD3922 Approved
0.7438 Intermediate Similarity NPD3921 Approved
0.7437 Intermediate Similarity NPD3343 Phase 3
0.7427 Intermediate Similarity NPD3084 Phase 3
0.7424 Intermediate Similarity NPD6230 Discontinued
0.7395 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD3814 Phase 1
0.7373 Intermediate Similarity NPD3354 Phase 2
0.7366 Intermediate Similarity NPD3810 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD7112 Discontinued
0.7349 Intermediate Similarity NPD4457 Phase 2
0.7336 Intermediate Similarity NPD3570 Phase 2
0.7333 Intermediate Similarity NPD7558 Phase 2
0.7325 Intermediate Similarity NPD5018 Phase 3
0.7321 Intermediate Similarity NPD4511 Phase 1
0.7311 Intermediate Similarity NPD7222 Phase 2
0.7311 Intermediate Similarity NPD7453 Approved
0.7311 Intermediate Similarity NPD7452 Approved
0.7306 Intermediate Similarity NPD6856 Discontinued
0.7304 Intermediate Similarity NPD7068 Approved
0.7304 Intermediate Similarity NPD7067 Approved
0.7296 Intermediate Similarity NPD6244 Phase 3
0.7296 Intermediate Similarity NPD6243 Phase 3
0.7296 Intermediate Similarity NPD6956 Phase 1
0.7286 Intermediate Similarity NPD5669 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD2599 Approved
0.7286 Intermediate Similarity NPD2601 Approved
0.7286 Intermediate Similarity NPD2600 Approved
0.7282 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD6473 Phase 1
0.7259 Intermediate Similarity NPD5065 Approved
0.7257 Intermediate Similarity NPD2472 Approved
0.7257 Intermediate Similarity NPD2471 Approved
0.7252 Intermediate Similarity NPD1258 Discontinued
0.7252 Intermediate Similarity NPD4890 Phase 2
0.7246 Intermediate Similarity NPD8442 Discontinued
0.7245 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD5437 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD5902 Approved
0.7235 Intermediate Similarity NPD5903 Approved
0.7231 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD3397 Phase 2
0.7202 Intermediate Similarity NPD6643 Discontinued
0.72 Intermediate Similarity NPD6968 Phase 2
0.72 Intermediate Similarity NPD6969 Phase 2
0.72 Intermediate Similarity NPD6595 Phase 3
0.7186 Intermediate Similarity NPD4071 Approved
0.7186 Intermediate Similarity NPD4072 Approved
0.7183 Intermediate Similarity NPD8403 Phase 1
0.7171 Intermediate Similarity NPD2410 Phase 2
0.7169 Intermediate Similarity NPD7980 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD3440 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD3477 Phase 2
0.7163 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD1954 Phase 1
0.7155 Intermediate Similarity NPD5802 Phase 2
0.7155 Intermediate Similarity NPD7592 Phase 2
0.7155 Intermediate Similarity NPD4440 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4052 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6961 Discontinued
0.7143 Intermediate Similarity NPD3816 Phase 1
0.7143 Intermediate Similarity NPD3815 Phase 1
0.713 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD8512 Phase 3
0.7123 Intermediate Similarity NPD2763 Phase 2
0.7117 Intermediate Similarity NPD5147 Discontinued
0.7115 Intermediate Similarity NPD978 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6251 Discontinued
0.7112 Intermediate Similarity NPD7392 Phase 2
0.7108 Intermediate Similarity NPD5256 Discontinued
0.7107 Intermediate Similarity NPD565 Phase 2
0.7106 Intermediate Similarity NPD5644 Phase 1
0.7103 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD4858 Phase 2
0.71 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD4932 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD4203 Approved
0.7079 Intermediate Similarity NPD4204 Approved
0.7078 Intermediate Similarity NPD6528 Phase 1
0.7075 Intermediate Similarity NPD7134 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD2757 Phase 2
0.7072 Intermediate Similarity NPD7678 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD5680 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD112 Approved
0.7062 Intermediate Similarity NPD9705 Discontinued
0.7059 Intermediate Similarity NPD4429 Discontinued
0.7059 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4889 Approved
0.7053 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD5913 Phase 3
0.7045 Intermediate Similarity NPD6772 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD3006 Discontinued
0.7043 Intermediate Similarity NPD4454 Phase 2
0.7032 Intermediate Similarity NPD5945 Phase 1
0.7032 Intermediate Similarity NPD5944 Phase 1
0.7031 Intermediate Similarity NPD6494 Phase 2
0.7027 Intermediate Similarity NPD3875 Discontinued
0.7027 Intermediate Similarity NPD786 Approved
0.7024 Intermediate Similarity NPD7758 Approved
0.7024 Intermediate Similarity NPD7757 Approved
0.7023 Intermediate Similarity NPD6150 Discontinued
0.702 Intermediate Similarity NPD1326 Approved
0.702 Intermediate Similarity NPD1325 Approved
0.7019 Intermediate Similarity NPD6569 Phase 2
0.7019 Intermediate Similarity NPD3404 Approved
0.7018 Intermediate Similarity NPD4996 Approved
0.7018 Intermediate Similarity NPD7470 Discontinued
0.7018 Intermediate Similarity NPD4995 Approved
0.7018 Intermediate Similarity NPD2062 Phase 2
0.7005 Intermediate Similarity NPD5117 Phase 2
0.7004 Intermediate Similarity NPD1624 Phase 2
0.6996 Remote Similarity NPD6634 Clinical (unspecified phase)
0.6996 Remote Similarity NPD6633 Phase 2
0.6996 Remote Similarity NPD5930 Phase 3
0.6995 Remote Similarity NPD3386 Phase 2
0.699 Remote Similarity NPD6257 Clinical (unspecified phase)
0.699 Remote Similarity NPD1034 Phase 3
0.699 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6986 Remote Similarity NPD5097 Phase 2
0.6986 Remote Similarity NPD6202 Discontinued
0.6983 Remote Similarity NPD6750 Phase 2
0.6982 Remote Similarity NPD5632 Approved
0.698 Remote Similarity NPD3920 Phase 2
0.6974 Remote Similarity NPD1900 Clinical (unspecified phase)
0.6974 Remote Similarity NPD4925 Approved
0.6972 Remote Similarity NPD3013 Phase 3
0.6972 Remote Similarity NPD3014 Clinical (unspecified phase)
0.6966 Remote Similarity NPD4875 Phase 3
0.6966 Remote Similarity NPD4876 Phase 3
0.6959 Remote Similarity NPD4154 Approved
0.6959 Remote Similarity NPD2510 Approved
0.6959 Remote Similarity NPD2509 Approved
0.6957 Remote Similarity NPD4080 Discontinued
0.6957 Remote Similarity NPD198 Clinical (unspecified phase)
0.6953 Remote Similarity NPD5905 Phase 1
0.6952 Remote Similarity NPD1602 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL76370
ZINC  

Physicochemical Properties

Molecular Weight:  301.19
ALogP:  -1.777
MLogP:  2.56
XLogP:  4.6
# Rotatable Bonds:  11
Polar Surface Area:  85.29
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  22

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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