Natural Product: NPC66177

Natural Product ID:  NPC66177
Common Name:   Pentazocine
IUPAC Name:  
Synonyms:   Fortral; Pentazocine; Talwin; WIN-20228
Molecular Formula:   C19H27NO
Standard InCHIKey:  VOKSWYLNZZRQPF-GDIGMMSISA-N
Standard InCHI:  InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
Canonical SMILES:  CC(=CCN1CC[C@@]2([C@H]([C@H]1Cc1c2cc(cc1)O)C)C)C
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
NPO9498 Papaver somniferum Species Papaveraceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus ED50 = 2.3 mg/kg 3965715
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 14.6 mg/kg 3965715
NPT32 Organism Mus musculus Mus musculus ED50 = 2 mg/kg 2831363
NPT1069 Individual Protein Mu opioid receptor Rattus norvegicus Ki = 6.9 nM 2831363
NPT1075 Individual Protein Kappa opioid receptor Cavia porcellus Ki = 75 nM 2831363
NPT3590 Protein Family Opioid receptor Rattus norvegicus IC50 = 12.5 nM 6600791
NPT3590 Protein Family Opioid receptor Rattus norvegicus IC50 = 87 nM 6600791
NPT32 Organism Mus musculus Mus musculus ED50 = 13 mg/kg 6600791
NPT32 Organism Mus musculus Mus musculus ED50 = 2.4 mg/kg 6249930
NPT32 Organism Mus musculus Mus musculus ED50 = 14.6 mg/kg 6249930
NPT3590 Protein Family Opioid receptor Rattus norvegicus IC50 = 46 nM 6249930
NPT32 Organism Mus musculus Mus musculus ED50 = 13 umol/kg 6114178
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 36.4 umol/kg 6114178
NPT32 Organism Mus musculus Mus musculus ED50 = 3.8 mg/kg 7359514
NPT32 Organism Mus musculus Mus musculus ED50 = 95 mg/kg 7359514
NPT32 Organism Mus musculus Mus musculus ED50 = 2.2 mg/kg 7359514
NPT32 Organism Mus musculus Mus musculus ED50 = 51 mg/kg 7359514
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 2.6 mg/kg 7359514
NPT29 Organism Rattus norvegicus Rattus norvegicus AD50 = 6.3 mg/kg 7359514
NPT29 Organism Rattus norvegicus Rattus norvegicus AD50 = 76 mg/kg 7359514
NPT29 Organism Rattus norvegicus Rattus norvegicus AD50 = 9 mg/kg 7359514
NPT29 Organism Rattus norvegicus Rattus norvegicus AD50 = 140 mg/kg 7359514
NPT29 Organism Rattus norvegicus Rattus norvegicus AD50 = 3.9 mg/kg 7359514
NPT29 Organism Rattus norvegicus Rattus norvegicus AD50 = 68 mg/kg 7359514
NPT32 Organism Mus musculus Mus musculus ED50 = 2.4 mg/kg 6128417
NPT32 Organism Mus musculus Mus musculus ED50 = 14.6 mg/kg 6128417
NPT32 Organism Mus musculus Mus musculus ED50 > 80 mg/kg 3656354
NPT32 Organism Mus musculus Mus musculus ED50 = 1.87 mg/kg 3656354
NPT32 Organism Mus musculus Mus musculus ED50 = 3.79 mg/kg 3656354
NPT296 Individual Protein Sigma opioid receptor Homo sapiens Ki = 3.77 nM 8098066
NPT32 Organism Mus musculus Mus musculus ED50 = 1.6 mg/kg 2999399
NPT3590 Protein Family Opioid receptor Rattus norvegicus IC50 = 53 nM 2999399
NPT2 Others Unspecified Ratio = 3.4 2999399
NPT32 Organism Mus musculus Mus musculus ED50 = 13 umol/kg 7310822
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 36.4 umol/kg 7310822
NPT32 Organism Mus musculus Mus musculus ED50 = 12.9 umol/kg 6796691
NPT3590 Protein Family Opioid receptor Rattus norvegicus ED50 = 36.4 umol/kg 6796691
NPT32 Organism Mus musculus Mus musculus ED50 = 12.9 umol/kg 6767032
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 36.4 umol/kg 6767032
NPT29 Organism Rattus norvegicus Rattus norvegicus Ratio = 0.36 6767032
NPT32 Organism Mus musculus Mus musculus ED50 = 3.7 mg/kg 7120287
NPT29 Organism Rattus norvegicus Rattus norvegicus AD50 = 10.4 mg/kg 7120287
NPT296 Individual Protein Sigma opioid receptor Homo sapiens Ki = 3.1 nM 8360875
NPT32 Organism Mus musculus Mus musculus ED50 = 2.4 mg/kg 6103962
NPT32 Organism Mus musculus Mus musculus ED50 = 14.6 mg/kg 6103962
NPT32 Organism Mus musculus Mus musculus ED50 > 25 mg/kg 6103962
NPT32 Organism Mus musculus Mus musculus ED50 > 20 mg/kg 6103962
NPT32 Organism Mus musculus Mus musculus ED50 = 12.9 umol/kg 7192744
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 36.4 umol/kg 7192744
NPT29 Organism Rattus norvegicus Rattus norvegicus Ratio = 0.36 7192744
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 9.16 s 19481931
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 9.33 s 19481931
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 9.3 s 19481931
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 8 s 19481931
NPT1067 Individual Protein Sigma opioid receptor Rattus norvegicus Ki = 12.1 nM 22831799
NPT2 Others Unspecified Ki = 1880.8 nM 22831799
NPT3591 Individual Protein Vesicular acetylcholine transporter Rattus norvegicus Ki > 10000 nM 22831799
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 2.22 % 23385092
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 2.18 % 23385092
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 2.17 % 23385092
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 1.9 % 23385092
NPT32 Organism Mus musculus Mus musculus ED50 = 2.4 mg/kg 691001
NPT32 Organism Mus musculus Mus musculus ED50 = 14.6 mg/kg 691001
NPT32 Organism Mus musculus Mus musculus ED50 = 13.8 mg/kg 691001
NPT32 Organism Mus musculus Mus musculus ED50 = 2.4 mg/kg 448682
NPT32 Organism Mus musculus Mus musculus ED50 = 14.6 mg/kg 448682
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 2.3 mg/kg 850250
NPT29 Organism Rattus norvegicus Rattus norvegicus AD50 = 3.9 mg/kg 850250
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 0 % 817021
NPT32 Organism Mus musculus Mus musculus ED50 = 3.7 mg/kg 845878
NPT32 Organism Mus musculus Mus musculus ED50 = 12 mg/kg 845878
NPT32 Organism Mus musculus Mus musculus ED50 = 10.1 mg/kg 845878
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 12.2 mg/kg 845878
NPT29 Organism Rattus norvegicus Rattus norvegicus ED50 = 60 mg/kg 817021
NPT32 Organism Mus musculus Mus musculus ED50 = 37.6 mg/kg 817021
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 30 % 817021
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = 64 % 817021
NPT32 Organism Mus musculus Mus musculus Inhibition = 88.91 % 26117820
NPT32 Organism Mus musculus Mus musculus Inhibition = 90.2 % 26117820
NPT2 Others Unspecified Ki = 1824 nM 27090556
NPT2 Others Unspecified Ratio Ki = 365 27090556
NPT1070 Individual Protein Sigma-1 receptor Cavia porcellus Ki = 5 nM 27090556
NPT2 Others Unspecified IC50 > 20000 nM 27156565
NPT83 Cell Line MCF7 Homo sapiens IC50 > 20000 nM 27156565
NPT3123 Cell Line DAN-G Homo sapiens IC50 > 20000 nM 27156565
NPT2295 Cell Line 5637 Homo sapiens IC50 = 3500 nM 27156565
NPT3592 Cell Line A427 Homo sapiens IC50 > 20000 nM 27156565
NPT296 Individual Protein Sigma opioid receptor Homo sapiens Ki = 36 nM 27156565
NPT1070 Individual Protein Sigma-1 receptor Cavia porcellus Ki = 5.4 nM 27156565
NPT1070 Individual Protein Sigma-1 receptor Cavia porcellus Ki = 2.2 nM 27396684

  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 NPC66177 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
1.0 High Similarity NPC268763
1.0 High Similarity NPC8305
0.9754 High Similarity NPC124802
0.9675 High Similarity NPC259665
0.9675 High Similarity NPC126859
0.9675 High Similarity NPC89769
0.9213 High Similarity NPC149379
0.8702 High Similarity NPC325568
0.8154 Intermediate Similarity NPC307020
0.8 Intermediate Similarity NPC470925
0.7984 Intermediate Similarity NPC322753
0.792 Intermediate Similarity NPC250323
0.7903 Intermediate Similarity NPC141782
0.7903 Intermediate Similarity NPC13482
0.7886 Intermediate Similarity NPC11554
0.7857 Intermediate Similarity NPC170170
0.7857 Intermediate Similarity NPC211468
0.7857 Intermediate Similarity NPC219233
0.784 Intermediate Similarity NPC260323
0.784 Intermediate Similarity NPC176279
0.7801 Intermediate Similarity NPC323123
0.7795 Intermediate Similarity NPC195922
0.7778 Intermediate Similarity NPC185838
0.775 Intermediate Similarity NPC155847
0.775 Intermediate Similarity NPC289381
0.7697 Intermediate Similarity NPC27410
0.7697 Intermediate Similarity NPC166014
0.7671 Intermediate Similarity NPC476151
0.7671 Intermediate Similarity NPC179825
0.7671 Intermediate Similarity NPC191376
0.7671 Intermediate Similarity NPC321505
0.7661 Intermediate Similarity NPC151477
0.7656 Intermediate Similarity NPC268160
0.7651 Intermediate Similarity NPC26601
0.7619 Intermediate Similarity NPC428
0.7619 Intermediate Similarity NPC246587
0.7619 Intermediate Similarity NPC24233
0.7619 Intermediate Similarity NPC147390
0.7619 Intermediate Similarity NPC135538
0.7619 Intermediate Similarity NPC476571
0.7615 Intermediate Similarity NPC477136
0.7606 Intermediate Similarity NPC150712
0.7603 Intermediate Similarity NPC211885
0.7597 Intermediate Similarity NPC35797
0.7597 Intermediate Similarity NPC147179
0.7597 Intermediate Similarity NPC192948
0.7597 Intermediate Similarity NPC1229
0.7582 Intermediate Similarity NPC226428
0.7578 Intermediate Similarity NPC715
0.7576 Intermediate Similarity NPC321133
0.7568 Intermediate Similarity NPC103379
0.7568 Intermediate Similarity NPC477565
0.7559 Intermediate Similarity NPC95716
0.7559 Intermediate Similarity NPC77772
0.7559 Intermediate Similarity NPC470770
0.7559 Intermediate Similarity NPC266937
0.7557 Intermediate Similarity NPC48342
0.7557 Intermediate Similarity NPC164649
0.7554 Intermediate Similarity NPC33338
0.7554 Intermediate Similarity NPC302171
0.7554 Intermediate Similarity NPC300020
0.7548 Intermediate Similarity NPC255607
0.7548 Intermediate Similarity NPC3375
0.754 Intermediate Similarity NPC58865
0.7538 Intermediate Similarity NPC308311
0.7538 Intermediate Similarity NPC471668
0.7538 Intermediate Similarity NPC219112
0.7538 Intermediate Similarity NPC477137
0.7538 Intermediate Similarity NPC38893
0.7538 Intermediate Similarity NPC308828
0.7535 Intermediate Similarity NPC193528
0.75 Intermediate Similarity NPC177962
0.75 Intermediate Similarity NPC124657
0.75 Intermediate Similarity NPC62867
0.75 Intermediate Similarity NPC42657
0.75 Intermediate Similarity NPC46940
0.75 Intermediate Similarity NPC117115
0.7484 Intermediate Similarity NPC324144
0.7482 Intermediate Similarity NPC257390
0.7481 Intermediate Similarity NPC304510
0.7481 Intermediate Similarity NPC172219
0.7481 Intermediate Similarity NPC16030
0.748 Intermediate Similarity NPC474149
0.7467 Intermediate Similarity NPC326316
0.7467 Intermediate Similarity NPC81733
0.7452 Intermediate Similarity NPC12053
0.7452 Intermediate Similarity NPC298979
0.7452 Intermediate Similarity NPC81218
0.7452 Intermediate Similarity NPC158376
0.7452 Intermediate Similarity NPC117188
0.7452 Intermediate Similarity NPC306555
0.7452 Intermediate Similarity NPC205421
0.7452 Intermediate Similarity NPC474931
0.7452 Intermediate Similarity NPC145832
0.745 Intermediate Similarity NPC60538
0.745 Intermediate Similarity NPC207824
0.7444 Intermediate Similarity NPC318552
0.7444 Intermediate Similarity NPC99734
0.7444 Intermediate Similarity NPC190501
0.744 Intermediate Similarity NPC21594
0.7438 Intermediate Similarity NPC225464
0.7436 Intermediate Similarity NPC253043
0.7436 Intermediate Similarity NPC78222
0.7436 Intermediate Similarity NPC136508
0.7436 Intermediate Similarity NPC13504
0.7436 Intermediate Similarity NPC306843
0.7436 Intermediate Similarity NPC212794
0.7436 Intermediate Similarity NPC96603
0.7436 Intermediate Similarity NPC477563
0.7436 Intermediate Similarity NPC196447
0.7431 Intermediate Similarity NPC314682
0.7424 Intermediate Similarity NPC469609
0.7424 Intermediate Similarity NPC471671
0.7405 Intermediate Similarity NPC257540
0.7405 Intermediate Similarity NPC469663
0.7405 Intermediate Similarity NPC141001
0.7405 Intermediate Similarity NPC474387
0.7405 Intermediate Similarity NPC247858
0.7405 Intermediate Similarity NPC154511
0.7405 Intermediate Similarity NPC82963
0.7405 Intermediate Similarity NPC92
0.7405 Intermediate Similarity NPC474358
0.7405 Intermediate Similarity NPC137496
0.7403 Intermediate Similarity NPC221864
0.7402 Intermediate Similarity NPC65855
0.7402 Intermediate Similarity NPC292758
0.74 Intermediate Similarity NPC88249
0.74 Intermediate Similarity NPC97221
0.74 Intermediate Similarity NPC192768
0.74 Intermediate Similarity NPC151895
0.74 Intermediate Similarity NPC220858
0.7389 Intermediate Similarity NPC35627
0.7389 Intermediate Similarity NPC476573
0.7389 Intermediate Similarity NPC81247
0.7388 Intermediate Similarity NPC328504
0.7388 Intermediate Similarity NPC32322
0.7388 Intermediate Similarity NPC259703
0.7386 Intermediate Similarity NPC147091
0.7385 Intermediate Similarity NPC118202
0.7385 Intermediate Similarity NPC471534
0.7381 Intermediate Similarity NPC320439
0.7379 Intermediate Similarity NPC474915
0.7379 Intermediate Similarity NPC213206
0.7379 Intermediate Similarity NPC328750
0.7379 Intermediate Similarity NPC188163
0.7377 Intermediate Similarity NPC92730
0.7368 Intermediate Similarity NPC469644
0.7368 Intermediate Similarity NPC126002
0.7368 Intermediate Similarity NPC93071
0.7364 Intermediate Similarity NPC228425
0.7355 Intermediate Similarity NPC119649
0.7355 Intermediate Similarity NPC230956
0.7355 Intermediate Similarity NPC205255
0.7355 Intermediate Similarity NPC271388
0.7355 Intermediate Similarity NPC235143
0.7351 Intermediate Similarity NPC76213
0.7351 Intermediate Similarity NPC85747
0.7351 Intermediate Similarity NPC277669
0.7351 Intermediate Similarity NPC8337
0.7348 Intermediate Similarity NPC38458
0.7348 Intermediate Similarity NPC311737
0.7338 Intermediate Similarity NPC79328
0.7333 Intermediate Similarity NPC316301
0.7333 Intermediate Similarity NPC77569
0.7333 Intermediate Similarity NPC109151
0.7333 Intermediate Similarity NPC27323
0.7333 Intermediate Similarity NPC142198
0.7329 Intermediate Similarity NPC329969
0.7328 Intermediate Similarity NPC469719
0.7328 Intermediate Similarity NPC317254
0.7323 Intermediate Similarity NPC24101
0.7323 Intermediate Similarity NPC96224
0.732 Intermediate Similarity NPC207757
0.732 Intermediate Similarity NPC39701
0.732 Intermediate Similarity NPC276588
0.732 Intermediate Similarity NPC172765
0.732 Intermediate Similarity NPC184026
0.732 Intermediate Similarity NPC54379
0.732 Intermediate Similarity NPC249797
0.732 Intermediate Similarity NPC127674
0.732 Intermediate Similarity NPC5238
0.732 Intermediate Similarity NPC2413
0.732 Intermediate Similarity NPC189266
0.732 Intermediate Similarity NPC469817
0.732 Intermediate Similarity NPC204828
0.732 Intermediate Similarity NPC110416
0.732 Intermediate Similarity NPC193949
0.732 Intermediate Similarity NPC295691
0.732 Intermediate Similarity NPC278799
0.7319 Intermediate Similarity NPC305717
0.7317 Intermediate Similarity NPC225506
0.7315 Intermediate Similarity NPC253883
0.7315 Intermediate Similarity NPC144863
0.7315 Intermediate Similarity NPC95075
0.7315 Intermediate Similarity NPC90844
0.7313 Intermediate Similarity NPC260832
0.7313 Intermediate Similarity NPC135467
0.7308 Intermediate Similarity NPC80759
0.7308 Intermediate Similarity NPC79402
0.7305 Intermediate Similarity NPC3202

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC66177 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 NPD3637 Approved
1.0 High Similarity NPD3635 Approved
1.0 High Similarity NPD3636 Approved
0.9754 High Similarity NPD2606 Approved
0.9754 High Similarity NPD2605 Approved
0.9754 High Similarity NPD3594 Approved
0.9754 High Similarity NPD3595 Approved
0.9675 High Similarity NPD5156 Approved
0.9675 High Similarity NPD5155 Approved
0.8934 High Similarity NPD4093 Discontinued
0.8872 High Similarity NPD4726 Approved
0.8872 High Similarity NPD4721 Approved
0.8872 High Similarity NPD4725 Approved
0.8862 High Similarity NPD1751 Approved
0.8702 High Similarity NPD3109 Approved
0.8702 High Similarity NPD3110 Approved
0.8699 High Similarity NPD2226 Clinical (unspecified phase)
0.8672 High Similarity NPD2194 Approved
0.8672 High Similarity NPD2195 Approved
0.8425 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.8425 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.8417 Intermediate Similarity NPD1792 Phase 2
0.8394 Intermediate Similarity NPD4256 Phase 2
0.8394 Intermediate Similarity NPD4257 Approved
0.8357 Intermediate Similarity NPD2421 Approved
0.8357 Intermediate Similarity NPD2420 Approved
0.8293 Intermediate Similarity NPD2234 Approved
0.8293 Intermediate Similarity NPD2229 Approved
0.8293 Intermediate Similarity NPD2228 Approved
0.8254 Intermediate Similarity NPD5304 Approved
0.8254 Intermediate Similarity NPD5303 Approved
0.8167 Intermediate Similarity NPD1445 Approved
0.8167 Intermediate Similarity NPD1444 Approved
0.8156 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.8154 Intermediate Similarity NPD4659 Approved
0.8085 Intermediate Similarity NPD8131 Suspended
0.808 Intermediate Similarity NPD1791 Approved
0.808 Intermediate Similarity NPD1793 Approved
0.8043 Intermediate Similarity NPD1753 Discontinued
0.803 Intermediate Similarity NPD4103 Phase 2
0.803 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7984 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD3364 Phase 3
0.7842 Intermediate Similarity NPD7718 Clinical (unspecified phase)
0.7817 Intermediate Similarity NPD3638 Discontinued
0.7754 Intermediate Similarity NPD6346 Approved
0.7744 Intermediate Similarity NPD1755 Approved
0.7708 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD4727 Phase 1
0.7655 Intermediate Similarity NPD3845 Phase 1
0.763 Intermediate Similarity NPD3053 Approved
0.763 Intermediate Similarity NPD3055 Approved
0.7628 Intermediate Similarity NPD2489 Approved
0.7628 Intermediate Similarity NPD27 Approved
0.7623 Intermediate Similarity NPD4229 Approved
0.7623 Intermediate Similarity NPD4231 Approved
0.7612 Intermediate Similarity NPD6025 Phase 1
0.7609 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD2667 Approved
0.7576 Intermediate Similarity NPD2668 Approved
0.7564 Intermediate Similarity NPD2970 Approved
0.7564 Intermediate Similarity NPD2969 Approved
0.7557 Intermediate Similarity NPD3091 Approved
0.7537 Intermediate Similarity NPD2230 Approved
0.7537 Intermediate Similarity NPD2233 Approved
0.7537 Intermediate Similarity NPD2232 Approved
0.7519 Intermediate Similarity NPD2688 Clinical (unspecified phase)
0.7518 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3051 Approved
0.7483 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.748 Intermediate Similarity NPD4253 Approved
0.748 Intermediate Similarity NPD4656 Approved
0.748 Intermediate Similarity NPD4658 Approved
0.748 Intermediate Similarity NPD4254 Approved
0.7466 Intermediate Similarity NPD5241 Discontinued
0.7444 Intermediate Similarity NPD2932 Approved
0.7444 Intermediate Similarity NPD4059 Approved
0.7444 Intermediate Similarity NPD3019 Approved
0.7432 Intermediate Similarity NPD3645 Discontinued
0.7419 Intermediate Similarity NPD9608 Approved
0.7419 Intermediate Similarity NPD9610 Approved
0.7407 Intermediate Similarity NPD2562 Approved
0.7407 Intermediate Similarity NPD2561 Approved
0.7405 Intermediate Similarity NPD6775 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD4818 Approved
0.7398 Intermediate Similarity NPD4817 Approved
0.7381 Intermediate Similarity NPD4095 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD7037 Approved
0.7377 Intermediate Similarity NPD3020 Approved
0.7357 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD3681 Approved
0.7339 Intermediate Similarity NPD3683 Approved
0.7333 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3092 Approved
0.7333 Intermediate Similarity NPD2173 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD3599 Approved
0.7313 Intermediate Similarity NPD7725 Approved
0.7299 Intermediate Similarity NPD5311 Approved
0.7299 Intermediate Similarity NPD5310 Approved
0.7297 Intermediate Similarity NPD6884 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD2227 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD5754 Discontinued
0.7256 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD7833 Phase 2
0.7244 Intermediate Similarity NPD7831 Phase 2
0.7244 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD1669 Approved
0.7222 Intermediate Similarity NPD5190 Phase 2
0.7209 Intermediate Similarity NPD4025 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3682 Approved
0.72 Intermediate Similarity NPD3680 Approved
0.7188 Intermediate Similarity NPD4718 Approved
0.7188 Intermediate Similarity NPD4720 Approved
0.7188 Intermediate Similarity NPD4717 Approved
0.7185 Intermediate Similarity NPD2286 Discontinued
0.7185 Intermediate Similarity NPD3095 Discontinued
0.716 Intermediate Similarity NPD4603 Phase 2
0.7153 Intermediate Similarity NPD823 Approved
0.7153 Intermediate Similarity NPD817 Approved
0.7153 Intermediate Similarity NPD2568 Approved
0.7152 Intermediate Similarity NPD4577 Approved
0.7152 Intermediate Similarity NPD7311 Approved
0.7152 Intermediate Similarity NPD7312 Approved
0.7152 Intermediate Similarity NPD4578 Approved
0.7152 Intermediate Similarity NPD7310 Approved
0.7152 Intermediate Similarity NPD7313 Approved
0.7133 Intermediate Similarity NPD2238 Phase 2
0.7133 Intermediate Similarity NPD3124 Discontinued
0.7132 Intermediate Similarity NPD3021 Approved
0.7132 Intermediate Similarity NPD3022 Approved
0.7131 Intermediate Similarity NPD2859 Approved
0.7131 Intermediate Similarity NPD2860 Approved
0.7122 Intermediate Similarity NPD3094 Phase 2
0.7111 Intermediate Similarity NPD4235 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD1710 Approved
0.7109 Intermediate Similarity NPD2342 Discontinued
0.7108 Intermediate Similarity NPD7309 Approved
0.7099 Intermediate Similarity NPD7635 Approved
0.7095 Intermediate Similarity NPD4127 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD2209 Approved
0.7095 Intermediate Similarity NPD2211 Approved
0.709 Intermediate Similarity NPD318 Approved
0.709 Intermediate Similarity NPD317 Approved
0.709 Intermediate Similarity NPD16 Approved
0.709 Intermediate Similarity NPD856 Approved
0.7086 Intermediate Similarity NPD4584 Approved
0.7083 Intermediate Similarity NPD7906 Approved
0.7081 Intermediate Similarity NPD4481 Phase 3
0.7081 Intermediate Similarity NPD2898 Approved
0.7075 Intermediate Similarity NPD2174 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD288 Approved
0.7071 Intermediate Similarity NPD7905 Discontinued
0.7071 Intermediate Similarity NPD6584 Phase 3
0.7063 Intermediate Similarity NPD4475 Approved
0.7063 Intermediate Similarity NPD4474 Approved
0.705 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD2933 Approved
0.7049 Intermediate Similarity NPD2934 Approved
0.7039 Intermediate Similarity NPD6090 Discontinued
0.7037 Intermediate Similarity NPD316 Approved
0.7032 Intermediate Similarity NPD4772 Phase 2
0.7032 Intermediate Similarity NPD4773 Phase 2
0.7024 Intermediate Similarity NPD4663 Approved
0.7021 Intermediate Similarity NPD4208 Discontinued
0.7021 Intermediate Similarity NPD5736 Approved
0.7 Intermediate Similarity NPD2490 Approved
0.7 Intermediate Similarity NPD1129 Approved
0.7 Intermediate Similarity NPD1134 Approved
0.7 Intermediate Similarity NPD1135 Approved
0.7 Intermediate Similarity NPD1133 Approved
0.7 Intermediate Similarity NPD1131 Approved
0.7 Intermediate Similarity NPD2488 Approved
0.6993 Remote Similarity NPD601 Approved
0.6993 Remote Similarity NPD598 Approved
0.6993 Remote Similarity NPD1039 Discontinued
0.6993 Remote Similarity NPD5718 Phase 2
0.6993 Remote Similarity NPD597 Approved
0.6993 Remote Similarity NPD7294 Phase 1
0.6992 Remote Similarity NPD9614 Approved
0.6992 Remote Similarity NPD844 Approved
0.6992 Remote Similarity NPD1809 Phase 2
0.6992 Remote Similarity NPD9618 Approved
0.6988 Remote Similarity NPD5522 Clinical (unspecified phase)
0.6986 Remote Similarity NPD3554 Approved
0.6986 Remote Similarity NPD3552 Approved
0.6986 Remote Similarity NPD3555 Approved
0.6986 Remote Similarity NPD6896 Approved
0.6986 Remote Similarity NPD6895 Approved
0.6986 Remote Similarity NPD3553 Approved
0.6984 Remote Similarity NPD854 Approved
0.6984 Remote Similarity NPD855 Approved
0.6984 Remote Similarity NPD4719 Phase 2
0.698 Remote Similarity NPD5177 Phase 3
0.6977 Remote Similarity NPD6038 Clinical (unspecified phase)
0.6974 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6974 Remote Similarity NPD1754 Clinical (unspecified phase)
0.697 Remote Similarity NPD9379 Approved
0.697 Remote Similarity NPD9377 Approved
0.6963 Remote Similarity NPD9615 Approved

Structure

External Identifiers

PubChem CID   441278
ChEMBL   CHEMBL560
ZINC  

Physicochemical Properties

Molecular Weight:  285.21
ALogP:  1.8055
MLogP:  3.33
XLogP:  4.091
# Rotatable Bonds:  7
Polar Surface Area:  23.47
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  21

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Biological Activities  
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