Natural Product: NPC473380

Natural Product ID:  NPC473380
Common Name:   Aplysinopsin
IUPAC Name:   (5E)-2-imino-5-(1H-indol-3-ylmethylidene)-1,3-dimethylimidazolidin-4-one
Synonyms:   Aplysinopsin
Molecular Formula:   C14H14N4O
Standard InCHIKey:  AZGOVLGMSGAOMP-FZYUQVBKSA-N
Standard InCHI:  InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15-16H,1-2H3/b12-7+,15-14?
Canonical SMILES:  N=C1N(C)C(=O)/C(=Cc2c[nH]c3c2cccc3)/N1C
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
NPO33044 florida sponges Species NA NA PMID[18217716]
NPO33153 thorectandra sp. Species Thorectidae Eukaryota PMID[16252912]
NPO32965 smenospongia sp. Species Thorectidae Eukaryota PMID[16252912]
NPO33297 aplysina sp. Species Aplysinidae Eukaryota Okinawan PMID[7964781]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT92 Individual Protein Serotonin 1a (5-HT1a) receptor Homo sapiens Ki > 10000 nM PubChem BioAssay data set
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 10017 nM PubChem BioAssay data set
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC = 25 ug/ml 15769157
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Activity = 0 % Open TG-GATES in vivo data: Biochemistry
NPT2 Others Unspecified Ratio IC50 = 290.34 8277308
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki = 14451 nM 10.6019/CHEMBL1201861
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 10017 nM 18955526
NPT425 Individual Protein Serotonin 3a (5-HT3a) receptor Homo sapiens Ki = 3029 nM 17253840
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Ki = 598 nM 9784111
NPT137 Cell Line L1210 Mus musculus IC50 = 2.3 ug/ml 19914747
NPT91 Cell Line KB Homo sapiens IC50 = 6.4 ug/ml 19879137
NPT2 Others Unspecified Ratio IC50 = 290.34 21044845
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens Ki = 4449 nM 25284252
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Activity = 47 % 18710917
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 35 nM 21111625
NPT2 Others Unspecified Ki = 0.041 nM DrugMatrix in vitro pharmacology data
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 35 nM 15568791
NPT294 Individual Protein Serotonin 6 (5-HT6) receptor Homo sapiens Ki = 8768 nM 19654408
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki = 10000 nM 19654408
NPT92 Individual Protein Serotonin 1a (5-HT1a) receptor Homo sapiens Activity = 0 % 22037378

  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 NPC473380 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 NPC240088
0.9812 High Similarity NPC265710
0.9752 High Similarity NPC16659
0.924 High Similarity NPC474180
0.924 High Similarity NPC188821
0.8708 High Similarity NPC474389
0.8393 Intermediate Similarity NPC49217
0.8323 Intermediate Similarity NPC143872
0.8263 Intermediate Similarity NPC470204
0.825 Intermediate Similarity NPC190296
0.8214 Intermediate Similarity NPC470203
0.8182 Intermediate Similarity NPC200214
0.8176 Intermediate Similarity NPC73767
0.8176 Intermediate Similarity NPC110126
0.8165 Intermediate Similarity NPC84911
0.8148 Intermediate Similarity NPC314372
0.8148 Intermediate Similarity NPC470440
0.8128 Intermediate Similarity NPC473376
0.8101 Intermediate Similarity NPC96102
0.8101 Intermediate Similarity NPC29886
0.8101 Intermediate Similarity NPC261195
0.8057 Intermediate Similarity NPC284775
0.8056 Intermediate Similarity NPC213629
0.805 Intermediate Similarity NPC105127
0.8047 Intermediate Similarity NPC122141
0.8037 Intermediate Similarity NPC204141
0.8037 Intermediate Similarity NPC159856
0.8012 Intermediate Similarity NPC469783
0.8012 Intermediate Similarity NPC469768
0.8012 Intermediate Similarity NPC469761
0.8012 Intermediate Similarity NPC469779
0.8012 Intermediate Similarity NPC469780
0.8012 Intermediate Similarity NPC469767
0.8012 Intermediate Similarity NPC469784
0.8011 Intermediate Similarity NPC11126
0.8 Intermediate Similarity NPC116555
0.7988 Intermediate Similarity NPC288838
0.7963 Intermediate Similarity NPC469766
0.7952 Intermediate Similarity NPC53947
0.7952 Intermediate Similarity NPC105818
0.7952 Intermediate Similarity NPC24678
0.7944 Intermediate Similarity NPC94752
0.7939 Intermediate Similarity NPC471957
0.7933 Intermediate Similarity NPC477003
0.7908 Intermediate Similarity NPC475736
0.7901 Intermediate Similarity NPC279081
0.7901 Intermediate Similarity NPC17059
0.7892 Intermediate Similarity NPC321911
0.7889 Intermediate Similarity NPC308931
0.7889 Intermediate Similarity NPC99939
0.7882 Intermediate Similarity NPC135141
0.7882 Intermediate Similarity NPC92796
0.7876 Intermediate Similarity NPC54981
0.7876 Intermediate Similarity NPC320968
0.7869 Intermediate Similarity NPC476460
0.7857 Intermediate Similarity NPC25008
0.7857 Intermediate Similarity NPC469786
0.7857 Intermediate Similarity NPC469760
0.7857 Intermediate Similarity NPC73952
0.7857 Intermediate Similarity NPC469765
0.7857 Intermediate Similarity NPC469763
0.7857 Intermediate Similarity NPC259644
0.7848 Intermediate Similarity NPC82295
0.7845 Intermediate Similarity NPC476527
0.7833 Intermediate Similarity NPC228835
0.7831 Intermediate Similarity NPC469811
0.7831 Intermediate Similarity NPC201380
0.7831 Intermediate Similarity NPC179787
0.7828 Intermediate Similarity NPC474195
0.7826 Intermediate Similarity NPC125746
0.7811 Intermediate Similarity NPC211572
0.7811 Intermediate Similarity NPC212376
0.7811 Intermediate Similarity NPC70922
0.7811 Intermediate Similarity NPC80597
0.7811 Intermediate Similarity NPC75540
0.7807 Intermediate Similarity NPC171317
0.7795 Intermediate Similarity NPC54744
0.7791 Intermediate Similarity NPC230002
0.7789 Intermediate Similarity NPC317701
0.7784 Intermediate Similarity NPC161861
0.7778 Intermediate Similarity NPC293487
0.7771 Intermediate Similarity NPC63545
0.7746 Intermediate Similarity NPC478184
0.7746 Intermediate Similarity NPC478182
0.7722 Intermediate Similarity NPC191415
0.772 Intermediate Similarity NPC71238
0.7713 Intermediate Similarity NPC473640
0.7704 Intermediate Similarity NPC282247
0.7702 Intermediate Similarity NPC198988
0.7701 Intermediate Similarity NPC42372
0.7701 Intermediate Similarity NPC280864
0.7701 Intermediate Similarity NPC17751
0.7692 Intermediate Similarity NPC216713
0.7688 Intermediate Similarity NPC326422
0.7688 Intermediate Similarity NPC225018
0.7677 Intermediate Similarity NPC267811
0.7673 Intermediate Similarity NPC474196
0.7672 Intermediate Similarity NPC100321
0.7672 Intermediate Similarity NPC293917
0.7661 Intermediate Similarity NPC469785
0.7654 Intermediate Similarity NPC325252
0.7654 Intermediate Similarity NPC145885
0.7654 Intermediate Similarity NPC84827
0.7654 Intermediate Similarity NPC14113
0.765 Intermediate Similarity NPC135601
0.765 Intermediate Similarity NPC17273
0.765 Intermediate Similarity NPC141612
0.7647 Intermediate Similarity NPC325903
0.7644 Intermediate Similarity NPC317105
0.764 Intermediate Similarity NPC293216
0.7627 Intermediate Similarity NPC54214
0.7626 Intermediate Similarity NPC470731
0.7626 Intermediate Similarity NPC470732
0.7624 Intermediate Similarity NPC307191
0.7616 Intermediate Similarity NPC236711
0.7616 Intermediate Similarity NPC469762
0.7616 Intermediate Similarity NPC216643
0.7602 Intermediate Similarity NPC34844
0.7592 Intermediate Similarity NPC475506
0.7588 Intermediate Similarity NPC470823
0.7586 Intermediate Similarity NPC478185
0.7586 Intermediate Similarity NPC282231
0.7582 Intermediate Similarity NPC470205
0.7582 Intermediate Similarity NPC102755
0.7563 Intermediate Similarity NPC471194
0.7563 Intermediate Similarity NPC471193
0.7557 Intermediate Similarity NPC160105
0.7557 Intermediate Similarity NPC478183
0.7552 Intermediate Similarity NPC155143
0.7546 Intermediate Similarity NPC218268
0.7544 Intermediate Similarity NPC281094
0.7544 Intermediate Similarity NPC141926
0.7543 Intermediate Similarity NPC311276
0.7541 Intermediate Similarity NPC21429
0.7529 Intermediate Similarity NPC279918
0.7529 Intermediate Similarity NPC131718
0.7514 Intermediate Similarity NPC126709
0.7514 Intermediate Similarity NPC276540
0.7514 Intermediate Similarity NPC233050
0.7514 Intermediate Similarity NPC248041
0.75 Intermediate Similarity NPC280852
0.75 Intermediate Similarity NPC304203
0.75 Intermediate Similarity NPC133003
0.75 Intermediate Similarity NPC280290
0.75 Intermediate Similarity NPC267885
0.7475 Intermediate Similarity NPC153980
0.7475 Intermediate Similarity NPC6865
0.7475 Intermediate Similarity NPC470702
0.7475 Intermediate Similarity NPC473218
0.7474 Intermediate Similarity NPC174281
0.7474 Intermediate Similarity NPC475286
0.7473 Intermediate Similarity NPC91179
0.7472 Intermediate Similarity NPC91895
0.7472 Intermediate Similarity NPC194411
0.7472 Intermediate Similarity NPC32534
0.7471 Intermediate Similarity NPC318065
0.7471 Intermediate Similarity NPC56765
0.7471 Intermediate Similarity NPC230869
0.7471 Intermediate Similarity NPC206819
0.746 Intermediate Similarity NPC294693
0.7459 Intermediate Similarity NPC59269
0.7458 Intermediate Similarity NPC470509
0.7458 Intermediate Similarity NPC49954
0.7458 Intermediate Similarity NPC114637
0.7458 Intermediate Similarity NPC474561
0.7453 Intermediate Similarity NPC22079
0.7446 Intermediate Similarity NPC165495
0.7444 Intermediate Similarity NPC203468
0.7444 Intermediate Similarity NPC149155
0.7444 Intermediate Similarity NPC110500
0.7443 Intermediate Similarity NPC40779
0.7443 Intermediate Similarity NPC247987
0.744 Intermediate Similarity NPC69843
0.7437 Intermediate Similarity NPC470703
0.7432 Intermediate Similarity NPC275292
0.7432 Intermediate Similarity NPC470677
0.7432 Intermediate Similarity NPC243381
0.7424 Intermediate Similarity NPC72956
0.7421 Intermediate Similarity NPC329765
0.7421 Intermediate Similarity NPC48117
0.7421 Intermediate Similarity NPC476526
0.7418 Intermediate Similarity NPC283219
0.7416 Intermediate Similarity NPC78020
0.7414 Intermediate Similarity NPC299594
0.7414 Intermediate Similarity NPC286427
0.741 Intermediate Similarity NPC88097
0.7405 Intermediate Similarity NPC15102
0.7398 Intermediate Similarity NPC54420
0.7396 Intermediate Similarity NPC153123
0.7396 Intermediate Similarity NPC19696
0.7396 Intermediate Similarity NPC475914
0.7396 Intermediate Similarity NPC136957
0.7396 Intermediate Similarity NPC477004
0.7396 Intermediate Similarity NPC220797
0.7396 Intermediate Similarity NPC474318
0.7396 Intermediate Similarity NPC201266
0.7396 Intermediate Similarity NPC268744
0.7394 Intermediate Similarity NPC150259
0.7389 Intermediate Similarity NPC314603
0.7384 Intermediate Similarity NPC472260

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473380 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
0.8101 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD786 Approved
0.8042 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.7989 Intermediate Similarity NPD2008 Discontinued
0.7952 Intermediate Similarity NPD2172 Phase 1
0.7943 Intermediate Similarity NPD4128 Approved
0.7921 Intermediate Similarity NPD1708 Approved
0.7921 Intermediate Similarity NPD1895 Discontinued
0.7921 Intermediate Similarity NPD1707 Approved
0.7906 Intermediate Similarity NPD2442 Approved
0.7906 Intermediate Similarity NPD2443 Approved
0.7853 Intermediate Similarity NPD1722 Approved
0.7853 Intermediate Similarity NPD4181 Approved
0.7849 Intermediate Similarity NPD2880 Discontinued
0.7845 Intermediate Similarity NPD5820 Clinical (unspecified phase)
0.7802 Intermediate Similarity NPD3961 Discontinued
0.7797 Intermediate Similarity NPD4075 Phase 2
0.7784 Intermediate Similarity NPD3100 Discontinued
0.7778 Intermediate Similarity NPD1332 Clinical (unspecified phase)
0.7772 Intermediate Similarity NPD6180 Clinical (unspecified phase)
0.7747 Intermediate Similarity NPD6217 Discontinued
0.7744 Intermediate Similarity NPD2411 Approved
0.7705 Intermediate Similarity NPD3486 Clinical (unspecified phase)
0.768 Intermediate Similarity NPD2408 Discontinued
0.7679 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.7672 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD7970 Approved
0.7665 Intermediate Similarity NPD7971 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD2639 Approved
0.7657 Intermediate Similarity NPD2642 Approved
0.765 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD2185 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD1600 Suspended
0.7569 Intermediate Similarity NPD6595 Phase 3
0.7566 Intermediate Similarity NPD6664 Approved
0.7557 Intermediate Similarity NPD1248 Discontinued
0.7554 Intermediate Similarity NPD7026 Phase 2
0.7553 Intermediate Similarity NPD7618 Phase 3
0.7553 Intermediate Similarity NPD7619 Phase 3
0.7551 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD1404 Approved
0.7529 Intermediate Similarity NPD1403 Approved
0.7528 Intermediate Similarity NPD3347 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD2009 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD2390 Clinical (unspecified phase)
0.7512 Intermediate Similarity NPD5199 Approved
0.7512 Intermediate Similarity NPD5198 Approved
0.75 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD1506 Discontinued
0.7473 Intermediate Similarity NPD6277 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7459 Intermediate Similarity NPD2793 Discontinued
0.7444 Intermediate Similarity NPD482 Approved
0.7442 Intermediate Similarity NPD2837 Discontinued
0.7435 Intermediate Similarity NPD1982 Phase 1
0.7432 Intermediate Similarity NPD4649 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD2960 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD6278 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD8256 Approved
0.7413 Intermediate Similarity NPD8258 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD8257 Approved
0.7409 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD460 Discontinued
0.7405 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD6771 Discontinued
0.7381 Intermediate Similarity NPD2007 Clinical (unspecified phase)
0.738 Intermediate Similarity NPD7175 Phase 1
0.7363 Intermediate Similarity NPD2144 Approved
0.7356 Intermediate Similarity NPD2150 Discontinued
0.7354 Intermediate Similarity NPD4922 Phase 2
0.7345 Intermediate Similarity NPD3323 Discontinued
0.7337 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6827 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1567 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6828 Phase 2
0.7318 Intermediate Similarity NPD2640 Approved
0.7318 Intermediate Similarity NPD2641 Approved
0.731 Intermediate Similarity NPD7445 Phase 1
0.7306 Intermediate Similarity NPD2405 Phase 3
0.7303 Intermediate Similarity NPD1313 Approved
0.73 Intermediate Similarity NPD8458 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD750 Phase 2
0.7291 Intermediate Similarity NPD6470 Phase 3
0.7289 Intermediate Similarity NPD1262 Discovery
0.7283 Intermediate Similarity NPD5508 Phase 1
0.7278 Intermediate Similarity NPD4637 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD3505 Approved
0.7268 Intermediate Similarity NPD3506 Approved
0.7264 Intermediate Similarity NPD8488 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD4615 Phase 2
0.7262 Intermediate Similarity NPD3943 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD4023 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD7564 Discontinued
0.7257 Intermediate Similarity NPD2580 Discontinued
0.7253 Intermediate Similarity NPD5065 Approved
0.7249 Intermediate Similarity NPD5145 Clinical (unspecified phase)
0.7249 Intermediate Similarity NPD5685 Approved
0.7249 Intermediate Similarity NPD3870 Clinical (unspecified phase)
0.7249 Intermediate Similarity NPD5686 Approved
0.7249 Intermediate Similarity NPD3871 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD3038 Discontinued
0.7228 Intermediate Similarity NPD3341 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD4076 Approved
0.7228 Intermediate Similarity NPD4079 Approved
0.7225 Intermediate Similarity NPD4463 Approved
0.7225 Intermediate Similarity NPD4462 Approved
0.7222 Intermediate Similarity NPD2333 Discontinued
0.7222 Intermediate Similarity NPD4779 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD7402 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD6044 Discontinued
0.7208 Intermediate Similarity NPD8272 Phase 2
0.7208 Intermediate Similarity NPD6288 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD2095 Phase 2
0.7204 Intermediate Similarity NPD2092 Phase 2
0.7204 Intermediate Similarity NPD5106 Approved
0.7204 Intermediate Similarity NPD2094 Phase 2
0.7204 Intermediate Similarity NPD5105 Approved
0.7194 Intermediate Similarity NPD2881 Approved
0.7194 Intermediate Similarity NPD3015 Discontinued
0.7194 Intermediate Similarity NPD2879 Approved
0.7189 Intermediate Similarity NPD5962 Phase 2
0.7186 Intermediate Similarity NPD6459 Phase 2
0.7181 Intermediate Similarity NPD3378 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD6165 Phase 2
0.7177 Intermediate Similarity NPD6164 Phase 2
0.7174 Intermediate Similarity NPD7111 Discontinued
0.717 Intermediate Similarity NPD8047 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD2096 Phase 2
0.7166 Intermediate Similarity NPD2091 Phase 2
0.7159 Intermediate Similarity NPD473 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD1683 Approved
0.7151 Intermediate Similarity NPD3583 Phase 2
0.715 Intermediate Similarity NPD2316 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3609 Approved
0.7143 Intermediate Similarity NPD3610 Approved
0.7135 Intermediate Similarity NPD5254 Discontinued
0.7135 Intermediate Similarity NPD1327 Discontinued
0.7135 Intermediate Similarity NPD2930 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD1030 Approved
0.7126 Intermediate Similarity NPD1027 Approved
0.7126 Intermediate Similarity NPD1029 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD1658 Discontinued
0.7115 Intermediate Similarity NPD6849 Phase 2
0.7115 Intermediate Similarity NPD6850 Phase 2
0.7112 Intermediate Similarity NPD3318 Approved
0.7112 Intermediate Similarity NPD3319 Phase 1
0.7112 Intermediate Similarity NPD3320 Approved
0.7111 Intermediate Similarity NPD509 Phase 3
0.7107 Intermediate Similarity NPD6268 Phase 1
0.7107 Intermediate Similarity NPD6269 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD1853 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD803 Phase 1
0.709 Intermediate Similarity NPD706 Phase 1
0.7088 Intermediate Similarity NPD2875 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD3431 Approved
0.7083 Intermediate Similarity NPD3430 Approved
0.7081 Intermediate Similarity NPD1272 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD4047 Discontinued
0.7073 Intermediate Similarity NPD3654 Approved
0.7072 Intermediate Similarity NPD5611 Phase 2
0.7071 Intermediate Similarity NPD2364 Suspended
0.7065 Intermediate Similarity NPD7704 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD7023 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD5017 Discontinued
0.7055 Intermediate Similarity NPD991 Phase 2
0.7055 Intermediate Similarity NPD992 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD7394 Phase 2
0.705 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD6328 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD3905 Phase 3
0.7047 Intermediate Similarity NPD3485 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD1303 Phase 1
0.7044 Intermediate Similarity NPD7657 Approved
0.7044 Intermediate Similarity NPD7656 Approved
0.7043 Intermediate Similarity NPD8386 Phase 2
0.7043 Intermediate Similarity NPD2590 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7208 Approved
0.7035 Intermediate Similarity NPD7207 Approved
0.7035 Intermediate Similarity NPD7209 Approved
0.703 Intermediate Similarity NPD3475 Approved
0.703 Intermediate Similarity NPD3476 Approved
0.703 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7026 Intermediate Similarity NPD3830 Phase 1
0.7026 Intermediate Similarity NPD1952 Discontinued
0.7026 Intermediate Similarity NPD5446 Phase 2
0.7017 Intermediate Similarity NPD2915 Discontinued
0.7017 Intermediate Similarity NPD5744 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD2510 Approved
0.7015 Intermediate Similarity NPD2509 Approved
0.7011 Intermediate Similarity NPD966 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD4547 Phase 3
0.701 Intermediate Similarity NPD8094 Discontinued

Structure

External Identifiers

PubChem CID   5359000
ChEMBL   CHEMBL404232
ZINC  

Physicochemical Properties

Molecular Weight:  254.12
ALogP:  -0.7878
MLogP:  2.45
XLogP:  2.954
# Rotatable Bonds:  3
Polar Surface Area:  63.19
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

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