Natural Product: NPC275305

Natural Product ID:  NPC275305
Common Name:   [(6Ar,9R)-7-Methyl-6,6A,8,9-Tetrahydro-4H-Indolo[4,3-Fg]Quinoline-9-Yl]Methanol
IUPAC Name:   [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl]methanol
Synonyms:  
Molecular Formula:   C16H18N2O
Standard InCHIKey:  BIXJFIJYBLJTMK-MEBBXXQBSA-N
Standard InCHI:  InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
Canonical SMILES:  OC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3
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
NPO32588 penicillium sp. wc75209 Species Aspergillaceae Eukaryota PMID[9871562]
NPO17506 Semen pharbitidis NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1776 Protein Family Serotonin 1 (5-HT1) receptor Rattus norvegicus IC50 = 15 nM 2456389
NPT1777 Protein Family Serotonin 2 (5-HT2) receptor Rattus norvegicus IC50 = 160 nM 2456389
NPT45 Individual Protein Ubiquitin carboxyl-terminal hydrolase 2 Homo sapiens Potency = 3981.1 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT795 Individual Protein Zinc finger protein mex-5 Caenorhabditis elegans EC50 = 53186 nM PubChem BioAssay data set
NPT3 Individual Protein Thioredoxin glutathione reductase Schistosoma mansoni Potency = 11220.2 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 > 110000 nM PubChem BioAssay data set
NPT53 Individual Protein 4'-phosphopantetheinyl transferase ffp Bacillus subtilis Potency = 1995.3 nM PubChem BioAssay data set
NPT51 Individual Protein Microtubule-associated protein tau Homo sapiens Potency = 19952.6 nM PubChem BioAssay data set
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 15848.9 nM PubChem BioAssay data set
NPT60 Individual Protein Lysosomal alpha-glucosidase Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Potency = 25.1 nM PubChem BioAssay data set
NPT797 Individual Protein Cytoplasmic zinc-finger protein Caenorhabditis elegans EC50 = 20605 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 112201.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 4147.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 44668.4 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 1995.3 nM PubChem BioAssay data set
NPT803 Individual Protein Flap endonuclease 1 Homo sapiens Potency 12589.3 nM PubChem BioAssay data set
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 3.3 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 35481.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 4109.5 nM PubChem BioAssay data set
NPT145 Individual Protein Mu opioid receptor Homo sapiens EC50 92470 nM PubChem BioAssay data set
NPT755 Individual Protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens Potency 56234.1 nM PubChem BioAssay data set
NPT2695 Individual Protein Serotonin 2a (5-HT2a) receptor Mus musculus EC50 18.01 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 16360.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3662.6 nM PubChem BioAssay data set
NPT35 Others n.a. EC50 > 29910 nM PubChem BioAssay data set
NPT976 Individual Protein Trace amine-associated receptor 1 Homo sapiens IC50 = 4577 nM PubChem BioAssay data set
NPT35 Others n.a. IC50 > 29910 nM PubChem BioAssay data set
NPT976 Individual Protein Trace amine-associated receptor 1 Homo sapiens EC50 = 7627 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 8912.5 nM PubChem BioAssay data set
NPT2 Others Unspecified EC50 69512 nM PubChem BioAssay data set
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 3981.1 nM PubChem BioAssay data set
NPT49 Individual Protein DNA-(apurinic or apyrimidinic site) lyase Homo sapiens Potency 794.3 nM PubChem BioAssay data set
NPT4380 Individual Protein Kallikrein 7 Homo sapiens EC50 7723 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 NPC275305 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 NPC37423
0.9873 High Similarity NPC68354
0.9808 High Similarity NPC194411
0.9688 High Similarity NPC176199
0.9688 High Similarity NPC215795
0.9236 High Similarity NPC206819
0.9236 High Similarity NPC318065
0.9059 High Similarity NPC95783
0.8994 High Similarity NPC56765
0.878 High Similarity NPC201700
0.8758 High Similarity NPC41257
0.875 High Similarity NPC51054
0.8718 High Similarity NPC314372
0.8696 High Similarity NPC286427
0.869 High Similarity NPC151939
0.8634 High Similarity NPC469785
0.8606 High Similarity NPC474561
0.8606 High Similarity NPC49954
0.859 High Similarity NPC190296
0.858 High Similarity NPC469762
0.8554 High Similarity NPC63751
0.8509 High Similarity NPC469763
0.8509 High Similarity NPC469786
0.8509 High Similarity NPC469765
0.8509 High Similarity NPC259644
0.8509 High Similarity NPC25008
0.8509 High Similarity NPC469760
0.8509 High Similarity NPC73952
0.85 High Similarity NPC105818
0.85 High Similarity NPC24678
0.8494 Intermediate Similarity NPC54988
0.8488 Intermediate Similarity NPC19679
0.8485 Intermediate Similarity NPC90723
0.8485 Intermediate Similarity NPC311276
0.848 Intermediate Similarity NPC300688
0.8457 Intermediate Similarity NPC212376
0.8457 Intermediate Similarity NPC75540
0.8457 Intermediate Similarity NPC80597
0.8457 Intermediate Similarity NPC70922
0.8457 Intermediate Similarity NPC211572
0.8424 Intermediate Similarity NPC282231
0.8402 Intermediate Similarity NPC313791
0.8397 Intermediate Similarity NPC73767
0.8385 Intermediate Similarity NPC33421
0.8373 Intermediate Similarity NPC194640
0.8373 Intermediate Similarity NPC40779
0.8365 Intermediate Similarity NPC159856
0.8364 Intermediate Similarity NPC279918
0.8364 Intermediate Similarity NPC44773
0.8364 Intermediate Similarity NPC215584
0.8344 Intermediate Similarity NPC469784
0.8344 Intermediate Similarity NPC469783
0.8344 Intermediate Similarity NPC469761
0.8344 Intermediate Similarity NPC469779
0.8344 Intermediate Similarity NPC469780
0.8344 Intermediate Similarity NPC469768
0.8344 Intermediate Similarity NPC469767
0.8343 Intermediate Similarity NPC470498
0.8303 Intermediate Similarity NPC230869
0.8303 Intermediate Similarity NPC135141
0.8303 Intermediate Similarity NPC92796
0.8291 Intermediate Similarity NPC469766
0.828 Intermediate Similarity NPC110126
0.8274 Intermediate Similarity NPC160105
0.8272 Intermediate Similarity NPC53947
0.8269 Intermediate Similarity NPC84911
0.8263 Intermediate Similarity NPC102423
0.8261 Intermediate Similarity NPC471957
0.8256 Intermediate Similarity NPC59269
0.8246 Intermediate Similarity NPC189812
0.8246 Intermediate Similarity NPC329688
0.8232 Intermediate Similarity NPC470507
0.8232 Intermediate Similarity NPC229332
0.8218 Intermediate Similarity NPC233936
0.8205 Intermediate Similarity NPC96102
0.8205 Intermediate Similarity NPC29886
0.8205 Intermediate Similarity NPC261195
0.8187 Intermediate Similarity NPC314603
0.8171 Intermediate Similarity NPC163055
0.8153 Intermediate Similarity NPC105127
0.8144 Intermediate Similarity NPC131718
0.8136 Intermediate Similarity NPC474707
0.8125 Intermediate Similarity NPC228835
0.8121 Intermediate Similarity NPC38736
0.8103 Intermediate Similarity NPC11126
0.8103 Intermediate Similarity NPC213468
0.8098 Intermediate Similarity NPC37548
0.809 Intermediate Similarity NPC204565
0.809 Intermediate Similarity NPC317030
0.8086 Intermediate Similarity NPC143872
0.8086 Intermediate Similarity NPC288838
0.8079 Intermediate Similarity NPC15102
0.8072 Intermediate Similarity NPC184476
0.807 Intermediate Similarity NPC280548
0.8061 Intermediate Similarity NPC200214
0.8047 Intermediate Similarity NPC472587
0.8046 Intermediate Similarity NPC248454
0.8045 Intermediate Similarity NPC173028
0.8045 Intermediate Similarity NPC65215
0.8024 Intermediate Similarity NPC216643
0.8012 Intermediate Similarity NPC317430
0.8 Intermediate Similarity NPC216713
0.8 Intermediate Similarity NPC470233
0.8 Intermediate Similarity NPC279081
0.7988 Intermediate Similarity NPC187951
0.7977 Intermediate Similarity NPC472123
0.7977 Intermediate Similarity NPC34508
0.7952 Intermediate Similarity NPC325903
0.7949 Intermediate Similarity NPC82295
0.7933 Intermediate Similarity NPC94752
0.7927 Intermediate Similarity NPC21605
0.7912 Intermediate Similarity NPC47190
0.7907 Intermediate Similarity NPC154293
0.7888 Intermediate Similarity NPC230002
0.7885 Intermediate Similarity NPC22079
0.7882 Intermediate Similarity NPC16667
0.7879 Intermediate Similarity NPC321911
0.7879 Intermediate Similarity NPC124005
0.7877 Intermediate Similarity NPC280290
0.7869 Intermediate Similarity NPC474177
0.7861 Intermediate Similarity NPC300183
0.7857 Intermediate Similarity NPC285469
0.7853 Intermediate Similarity NPC242556
0.7849 Intermediate Similarity NPC49217
0.784 Intermediate Similarity NPC473868
0.784 Intermediate Similarity NPC63157
0.7829 Intermediate Similarity NPC293216
0.7826 Intermediate Similarity NPC294693
0.7826 Intermediate Similarity NPC133366
0.7818 Intermediate Similarity NPC469811
0.7818 Intermediate Similarity NPC477134
0.7818 Intermediate Similarity NPC179787
0.7818 Intermediate Similarity NPC201380
0.7812 Intermediate Similarity NPC314102
0.7812 Intermediate Similarity NPC251722
0.7797 Intermediate Similarity NPC270009
0.7791 Intermediate Similarity NPC470508
0.779 Intermediate Similarity NPC17059
0.7784 Intermediate Similarity NPC475602
0.7778 Intermediate Similarity NPC59084
0.7765 Intermediate Similarity NPC48938
0.7765 Intermediate Similarity NPC475990
0.7764 Intermediate Similarity NPC169433
0.7758 Intermediate Similarity NPC63545
0.775 Intermediate Similarity NPC325252
0.7722 Intermediate Similarity NPC165495
0.7722 Intermediate Similarity NPC475450
0.7719 Intermediate Similarity NPC473320
0.7719 Intermediate Similarity NPC122141
0.7716 Intermediate Similarity NPC312092
0.7716 Intermediate Similarity NPC88097
0.7714 Intermediate Similarity NPC6982
0.7713 Intermediate Similarity NPC470497
0.7709 Intermediate Similarity NPC192270
0.7709 Intermediate Similarity NPC71037
0.7708 Intermediate Similarity NPC314957
0.7702 Intermediate Similarity NPC150259
0.7701 Intermediate Similarity NPC473640
0.7701 Intermediate Similarity NPC265576
0.7692 Intermediate Similarity NPC34844
0.7692 Intermediate Similarity NPC207726
0.7692 Intermediate Similarity NPC471458
0.7688 Intermediate Similarity NPC198988
0.7684 Intermediate Similarity NPC280852
0.7684 Intermediate Similarity NPC98715
0.7684 Intermediate Similarity NPC267885
0.768 Intermediate Similarity NPC99939
0.768 Intermediate Similarity NPC163421
0.768 Intermediate Similarity NPC188387
0.768 Intermediate Similarity NPC308931
0.7679 Intermediate Similarity NPC470823
0.7669 Intermediate Similarity NPC2949
0.7667 Intermediate Similarity NPC139291
0.7667 Intermediate Similarity NPC472108
0.7661 Intermediate Similarity NPC67056
0.7661 Intermediate Similarity NPC6436
0.7658 Intermediate Similarity NPC475428
0.7651 Intermediate Similarity NPC129042
0.765 Intermediate Similarity NPC213629
0.765 Intermediate Similarity NPC155444
0.764 Intermediate Similarity NPC218268
0.7634 Intermediate Similarity NPC157828
0.7634 Intermediate Similarity NPC195239
0.7633 Intermediate Similarity NPC141926
0.7632 Intermediate Similarity NPC193761
0.763 Intermediate Similarity NPC317105
0.7627 Intermediate Similarity NPC110500
0.7627 Intermediate Similarity NPC149155
0.7627 Intermediate Similarity NPC203468
0.7624 Intermediate Similarity NPC472294
0.7611 Intermediate Similarity NPC470677
0.761 Intermediate Similarity NPC179365
0.7602 Intermediate Similarity NPC129721
0.7602 Intermediate Similarity NPC236711
0.76 Intermediate Similarity NPC78020
0.7598 Intermediate Similarity NPC126709
0.7598 Intermediate Similarity NPC248041
0.7595 Intermediate Similarity NPC473587
0.7594 Intermediate Similarity NPC11445
0.7593 Intermediate Similarity NPC125746

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC275305 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
0.9873 High Similarity NPD3506 Approved
0.9873 High Similarity NPD3505 Approved
0.9811 High Similarity NPD4076 Approved
0.9811 High Similarity NPD4079 Approved
0.925 High Similarity NPD4639 Approved
0.925 High Similarity NPD4640 Approved
0.925 High Similarity NPD4638 Approved
0.9024 High Similarity NPD4128 Approved
0.897 High Similarity NPD4075 Phase 2
0.8827 High Similarity NPD3323 Discontinued
0.8802 High Similarity NPD4181 Approved
0.8721 High Similarity NPD3961 Discontinued
0.8671 High Similarity NPD3100 Discontinued
0.8563 High Similarity NPD3609 Approved
0.8563 High Similarity NPD3610 Approved
0.8545 High Similarity NPD5744 Clinical (unspecified phase)
0.8506 High Similarity NPD3486 Clinical (unspecified phase)
0.8471 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.8443 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.8443 Intermediate Similarity NPD5021 Discontinued
0.8438 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.8397 Intermediate Similarity NPD786 Approved
0.8353 Intermediate Similarity NPD5065 Approved
0.8333 Intermediate Similarity NPD4779 Clinical (unspecified phase)
0.8304 Intermediate Similarity NPD6375 Clinical (unspecified phase)
0.8294 Intermediate Similarity NPD4112 Clinical (unspecified phase)
0.8291 Intermediate Similarity NPD1722 Approved
0.8256 Intermediate Similarity NPD2144 Approved
0.8229 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.8218 Intermediate Similarity NPD3038 Discontinued
0.8205 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.8187 Intermediate Similarity NPD5254 Discontinued
0.8182 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.8161 Intermediate Similarity NPD6595 Phase 3
0.816 Intermediate Similarity NPD2172 Phase 1
0.8132 Intermediate Similarity NPD6664 Approved
0.809 Intermediate Similarity NPD8431 Approved
0.8012 Intermediate Similarity NPD2640 Approved
0.8012 Intermediate Similarity NPD2641 Approved
0.8 Intermediate Similarity NPD3943 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD5315 Discontinued
0.7952 Intermediate Similarity NPD2837 Discontinued
0.7939 Intermediate Similarity NPD4463 Approved
0.7939 Intermediate Similarity NPD4462 Approved
0.7933 Intermediate Similarity NPD6217 Discontinued
0.7929 Intermediate Similarity NPD1403 Approved
0.7929 Intermediate Similarity NPD1404 Approved
0.7907 Intermediate Similarity NPD2185 Clinical (unspecified phase)
0.7901 Intermediate Similarity NPD6281 Approved
0.7866 Intermediate Similarity NPD1683 Approved
0.7861 Intermediate Similarity NPD1326 Approved
0.7861 Intermediate Similarity NPD1325 Approved
0.7849 Intermediate Similarity NPD2642 Approved
0.7849 Intermediate Similarity NPD2639 Approved
0.7845 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7816 Intermediate Similarity NPD5934 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD4637 Clinical (unspecified phase)
0.7772 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD6277 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD4703 Approved
0.7711 Intermediate Similarity NPD4702 Approved
0.7711 Intermediate Similarity NPD4547 Phase 3
0.7692 Intermediate Similarity NPD5590 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD4550 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD2960 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD1853 Clinical (unspecified phase)
0.7668 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD5105 Approved
0.7667 Intermediate Similarity NPD5106 Approved
0.7663 Intermediate Similarity NPD6180 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD2580 Discontinued
0.7634 Intermediate Similarity NPD7619 Phase 3
0.7634 Intermediate Similarity NPD7618 Phase 3
0.7632 Intermediate Similarity NPD5721 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD3583 Phase 2
0.7627 Intermediate Similarity NPD482 Approved
0.7622 Intermediate Similarity NPD3404 Approved
0.7614 Intermediate Similarity NPD3116 Approved
0.7614 Intermediate Similarity NPD3117 Approved
0.7584 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7579 Intermediate Similarity NPD4511 Phase 1
0.7569 Intermediate Similarity NPD2095 Phase 2
0.7569 Intermediate Similarity NPD2094 Phase 2
0.7569 Intermediate Similarity NPD2092 Phase 2
0.7552 Intermediate Similarity NPD5901 Discontinued
0.7544 Intermediate Similarity NPD2748 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD2928 Phase 2
0.7527 Intermediate Similarity NPD2096 Phase 2
0.7527 Intermediate Similarity NPD2091 Phase 2
0.7516 Intermediate Similarity NPD4030 Approved
0.7516 Intermediate Similarity NPD4028 Approved
0.7516 Intermediate Similarity NPD3385 Approved
0.7516 Intermediate Similarity NPD4029 Approved
0.7514 Intermediate Similarity NPD5145 Clinical (unspecified phase)
0.7513 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.7513 Intermediate Similarity NPD7957 Phase 1
0.7513 Intermediate Similarity NPD8094 Discontinued
0.75 Intermediate Similarity NPD8072 Approved
0.7485 Intermediate Similarity NPD977 Approved
0.7485 Intermediate Similarity NPD975 Approved
0.7485 Intermediate Similarity NPD976 Approved
0.7472 Intermediate Similarity NPD750 Phase 2
0.7468 Intermediate Similarity NPD2118 Approved
0.7468 Intermediate Similarity NPD2119 Approved
0.7463 Intermediate Similarity NPD7781 Approved
0.7463 Intermediate Similarity NPD7780 Approved
0.7462 Intermediate Similarity NPD8093 Discontinued
0.7461 Intermediate Similarity NPD8272 Phase 2
0.746 Intermediate Similarity NPD7948 Phase 1
0.7438 Intermediate Similarity NPD3475 Approved
0.7438 Intermediate Similarity NPD3476 Approved
0.7436 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.7435 Intermediate Similarity NPD8248 Clinical (unspecified phase)
0.7433 Intermediate Similarity NPD4615 Phase 2
0.7425 Intermediate Similarity NPD1918 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD3944 Approved
0.7407 Intermediate Similarity NPD3942 Approved
0.7405 Intermediate Similarity NPD2310 Clinical (unspecified phase)
0.7401 Intermediate Similarity NPD5862 Discovery
0.7385 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7382 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7382 Intermediate Similarity NPD6661 Clinical (unspecified phase)
0.738 Intermediate Similarity NPD6630 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD1262 Discovery
0.7375 Intermediate Similarity NPD3654 Approved
0.7371 Intermediate Similarity NPD5426 Phase 3
0.7371 Intermediate Similarity NPD972 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD3717 Discontinued
0.736 Intermediate Similarity NPD5436 Phase 1
0.7358 Intermediate Similarity NPD991 Phase 2
0.7358 Intermediate Similarity NPD992 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD2150 Discontinued
0.7337 Intermediate Similarity NPD4957 Phase 2
0.7337 Intermediate Similarity NPD7469 Discontinued
0.7333 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD4499 Approved
0.7323 Intermediate Similarity NPD7470 Discontinued
0.7317 Intermediate Similarity NPD7271 Approved
0.7312 Intermediate Similarity NPD3002 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD8386 Phase 2
0.7303 Intermediate Similarity NPD2390 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD8112 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD45 Approved
0.7273 Intermediate Similarity NPD6554 Approved
0.7268 Intermediate Similarity NPD8073 Approved
0.7268 Intermediate Similarity NPD5473 Discontinued
0.7268 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD2882 Phase 1
0.7262 Intermediate Similarity NPD2006 Phase 2
0.7262 Intermediate Similarity NPD2007 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD4601 Approved
0.7254 Intermediate Similarity NPD4600 Approved
0.7251 Intermediate Similarity NPD2430 Phase 2
0.7246 Intermediate Similarity NPD7730 Approved
0.7246 Intermediate Similarity NPD7731 Approved
0.7243 Intermediate Similarity NPD7564 Discontinued
0.7241 Intermediate Similarity NPD3114 Approved
0.7241 Intermediate Similarity NPD3115 Approved
0.7241 Intermediate Similarity NPD3113 Approved
0.7241 Intermediate Similarity NPD6026 Approved
0.7241 Intermediate Similarity NPD3112 Approved
0.7236 Intermediate Similarity NPD4614 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD6148 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD5138 Approved
0.7232 Intermediate Similarity NPD5140 Approved
0.7228 Intermediate Similarity NPD1895 Discontinued
0.7228 Intermediate Similarity NPD1708 Approved
0.7228 Intermediate Similarity NPD4399 Phase 2
0.7228 Intermediate Similarity NPD1707 Approved
0.7225 Intermediate Similarity NPD2012 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD3813 Approved
0.7211 Intermediate Similarity NPD1038 Approved
0.7211 Intermediate Similarity NPD802 Phase 2
0.7202 Intermediate Similarity NPD1592 Phase 3
0.72 Intermediate Similarity NPD2865 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD4326 Phase 2
0.72 Intermediate Similarity NPD3330 Phase 1
0.7198 Intermediate Similarity NPD5100 Phase 3
0.7198 Intermediate Similarity NPD2381 Approved
0.7198 Intermediate Similarity NPD2380 Approved
0.7198 Intermediate Similarity NPD2382 Approved
0.7193 Intermediate Similarity NPD1661 Suspended
0.7191 Intermediate Similarity NPD2720 Phase 1
0.7191 Intermediate Similarity NPD2719 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD1332 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD3320 Approved
0.7189 Intermediate Similarity NPD3318 Approved
0.7189 Intermediate Similarity NPD3319 Phase 1
0.7186 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD4051 Discontinued
0.7186 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD2165 Phase 1
0.7177 Intermediate Similarity NPD7824 Approved
0.7173 Intermediate Similarity NPD7024 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   14987
ChEMBL   CHEMBL39947
ZINC  

Physicochemical Properties

Molecular Weight:  254.14
ALogP:  -0.7639
MLogP:  2.89
XLogP:  1.33
# Rotatable Bonds:  3
Polar Surface Area:  39.26
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs