Natural Product: NPC474180

Natural Product ID:  NPC474180
Common Name:   6-Bromoaplysinopsin
IUPAC Name:   (5E)-5-[(6-bromo-1H-indol-3-yl)methylidene]-2-imino-1,3-dimethylimidazolidin-4-one
Synonyms:   6-Bromoaplysinopsin
Molecular Formula:   C14H13BrN4O
Standard InCHIKey:  OVVZEMAUZWSOHR-ZSUDRMHPSA-N
Standard InCHI:  InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?
Canonical SMILES:  Brc1ccc2c(c1)[nH]cc2/C=C1/N(C)C(=N)N(C1=O)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
NPO20958 Smenospongia aurea Species Thorectidae Eukaryota Jamaican PMID[11975483]

  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
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Ki = 2000 nM 17190448
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki = 2202 nM 10.6019/CHEMBL1201861
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.34 ug/ml 20457818
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki = 330 nM 20457818
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Ki = 1704 nM 10.1007/s00044-012-0320-7
NPT582 Individual Protein Monoamine oxidase B Homo sapiens IC50 = 447 nM 15332869
NPT2 Others Unspecified Ki > 45 nM PubChem BioAssay data set
NPT292 Individual Protein Serotonin 2c (5-HT2c) receptor Homo sapiens Activity = 46 % 9784111
NPT92 Individual Protein Serotonin 1a (5-HT1a) receptor Homo sapiens Activity = 1 % 10.1016/S0960-894X(00)80047-5
NPT290 Individual Protein Serotonin 2a (5-HT2a) receptor Homo sapiens Activity = 8 % 10.1016/S0960-894X(00)80047-5
NPT2 Others Unspecified Ratio IC50 = 80.24 20863599
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 5.6 nM 20457818
NPT2 Others Unspecified Ratio IC50 = 80.24 21111625
NPT291 Individual Protein Serotonin 2b (5-HT2b) receptor Homo sapiens Ki = 2671 nM 11714611
NPT973 Individual Protein Serotonin 1b (5-HT1b) receptor Homo sapiens Ki = 0 nM 8881811
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 5.6 nM 23562058
NPT261 Individual Protein Monoamine oxidase A Homo sapiens IC50 = 447 nM 26214125
NPT1784 Individual Protein Serotonin 5a (5-HT5a) receptor Homo sapiens Ki = 9621 nM 19654408

  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 NPC474180 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 NPC188821
0.9438 High Similarity NPC474389
0.924 High Similarity NPC473380
0.924 High Similarity NPC240088
0.9075 High Similarity NPC265710
0.9023 High Similarity NPC16659
0.8571 High Similarity NPC475736
0.8485 Intermediate Similarity NPC474195
0.8448 Intermediate Similarity NPC17751
0.8343 Intermediate Similarity NPC307191
0.8317 Intermediate Similarity NPC474196
0.8304 Intermediate Similarity NPC141926
0.8232 Intermediate Similarity NPC276540
0.8232 Intermediate Similarity NPC233050
0.8182 Intermediate Similarity NPC247987
0.8142 Intermediate Similarity NPC275292
0.8142 Intermediate Similarity NPC243381
0.8131 Intermediate Similarity NPC473218
0.8131 Intermediate Similarity NPC470702
0.809 Intermediate Similarity NPC470703
0.8073 Intermediate Similarity NPC474318
0.8073 Intermediate Similarity NPC477004
0.8073 Intermediate Similarity NPC201266
0.8073 Intermediate Similarity NPC220797
0.8073 Intermediate Similarity NPC475914
0.8073 Intermediate Similarity NPC268744
0.8073 Intermediate Similarity NPC153123
0.8066 Intermediate Similarity NPC280297
0.8054 Intermediate Similarity NPC108011
0.8042 Intermediate Similarity NPC477167
0.8042 Intermediate Similarity NPC473342
0.8042 Intermediate Similarity NPC304187
0.8042 Intermediate Similarity NPC477166
0.8034 Intermediate Similarity NPC280864
0.8031 Intermediate Similarity NPC13456
0.8031 Intermediate Similarity NPC269203
0.8031 Intermediate Similarity NPC166209
0.8031 Intermediate Similarity NPC77241
0.8011 Intermediate Similarity NPC477611
0.7978 Intermediate Similarity NPC149265
0.7956 Intermediate Similarity NPC82331
0.7943 Intermediate Similarity NPC34844
0.7933 Intermediate Similarity NPC274229
0.7861 Intermediate Similarity NPC110158
0.7857 Intermediate Similarity NPC54214
0.7857 Intermediate Similarity NPC470323
0.7847 Intermediate Similarity NPC156003
0.7826 Intermediate Similarity NPC474958
0.782 Intermediate Similarity NPC267078
0.782 Intermediate Similarity NPC935
0.7795 Intermediate Similarity NPC237414
0.779 Intermediate Similarity NPC49217
0.7783 Intermediate Similarity NPC474357
0.7749 Intermediate Similarity NPC231536
0.7714 Intermediate Similarity NPC2272
0.7704 Intermediate Similarity NPC136957
0.7704 Intermediate Similarity NPC19696
0.7701 Intermediate Similarity NPC143872
0.7692 Intermediate Similarity NPC475286
0.7692 Intermediate Similarity NPC174281
0.7667 Intermediate Similarity NPC470204
0.7641 Intermediate Similarity NPC48117
0.7641 Intermediate Similarity NPC329765
0.7641 Intermediate Similarity NPC476526
0.763 Intermediate Similarity NPC190296
0.7624 Intermediate Similarity NPC470203
0.76 Intermediate Similarity NPC316069
0.76 Intermediate Similarity NPC473376
0.7584 Intermediate Similarity NPC232798
0.7584 Intermediate Similarity NPC200214
0.7576 Intermediate Similarity NPC106771
0.7576 Intermediate Similarity NPC303820
0.7576 Intermediate Similarity NPC23420
0.7576 Intermediate Similarity NPC205254
0.7558 Intermediate Similarity NPC73767
0.7558 Intermediate Similarity NPC110126
0.7544 Intermediate Similarity NPC84911
0.7543 Intermediate Similarity NPC470440
0.7543 Intermediate Similarity NPC314372
0.7538 Intermediate Similarity NPC475935
0.7538 Intermediate Similarity NPC94211
0.7538 Intermediate Similarity NPC52909
0.7514 Intermediate Similarity NPC97343
0.7513 Intermediate Similarity NPC213629
0.75 Intermediate Similarity NPC284775
0.7488 Intermediate Similarity NPC116555
0.7485 Intermediate Similarity NPC29886
0.7485 Intermediate Similarity NPC96102
0.7485 Intermediate Similarity NPC261195
0.7473 Intermediate Similarity NPC122141
0.746 Intermediate Similarity NPC11126
0.7452 Intermediate Similarity NPC477114
0.7449 Intermediate Similarity NPC88315
0.7443 Intermediate Similarity NPC159856
0.7443 Intermediate Similarity NPC204141
0.7442 Intermediate Similarity NPC105127
0.7432 Intermediate Similarity NPC253687
0.7414 Intermediate Similarity NPC469784
0.7414 Intermediate Similarity NPC469761
0.7414 Intermediate Similarity NPC469783
0.7414 Intermediate Similarity NPC469768
0.7414 Intermediate Similarity NPC469779
0.7414 Intermediate Similarity NPC469780
0.7414 Intermediate Similarity NPC469767
0.7413 Intermediate Similarity NPC473761
0.7409 Intermediate Similarity NPC94752
0.7401 Intermediate Similarity NPC288838
0.7396 Intermediate Similarity NPC477003
0.7391 Intermediate Similarity NPC206148
0.7379 Intermediate Similarity NPC320968
0.7379 Intermediate Similarity NPC54981
0.7374 Intermediate Similarity NPC24678
0.7374 Intermediate Similarity NPC179701
0.7374 Intermediate Similarity NPC105818
0.7374 Intermediate Similarity NPC53947
0.7371 Intermediate Similarity NPC469766
0.7371 Intermediate Similarity NPC17059
0.736 Intermediate Similarity NPC471957
0.736 Intermediate Similarity NPC19342
0.7358 Intermediate Similarity NPC308931
0.7358 Intermediate Similarity NPC99939
0.7347 Intermediate Similarity NPC476460
0.7337 Intermediate Similarity NPC262898
0.7322 Intermediate Similarity NPC92796
0.7322 Intermediate Similarity NPC135141
0.732 Intermediate Similarity NPC476527
0.7318 Intermediate Similarity NPC321911
0.7317 Intermediate Similarity NPC476525
0.7314 Intermediate Similarity NPC279081
0.7312 Intermediate Similarity NPC478183
0.7308 Intermediate Similarity NPC54744
0.7306 Intermediate Similarity NPC228835
0.7304 Intermediate Similarity NPC82053
0.73 Intermediate Similarity NPC171317
0.7293 Intermediate Similarity NPC469763
0.7293 Intermediate Similarity NPC259644
0.7293 Intermediate Similarity NPC469760
0.7293 Intermediate Similarity NPC469765
0.7293 Intermediate Similarity NPC73952
0.7293 Intermediate Similarity NPC469786
0.7293 Intermediate Similarity NPC25008
0.7291 Intermediate Similarity NPC317701
0.7263 Intermediate Similarity NPC201380
0.7263 Intermediate Similarity NPC469811
0.7263 Intermediate Similarity NPC179787
0.7258 Intermediate Similarity NPC2165
0.7253 Intermediate Similarity NPC70922
0.7253 Intermediate Similarity NPC211572
0.7253 Intermediate Similarity NPC80597
0.7253 Intermediate Similarity NPC212376
0.7253 Intermediate Similarity NPC75540
0.7251 Intermediate Similarity NPC82295
0.7249 Intermediate Similarity NPC161861
0.7241 Intermediate Similarity NPC125746
0.7233 Intermediate Similarity NPC476524
0.7233 Intermediate Similarity NPC71238
0.7231 Intermediate Similarity NPC63571
0.7228 Intermediate Similarity NPC293487
0.7225 Intermediate Similarity NPC282247
0.722 Intermediate Similarity NPC17487
0.722 Intermediate Similarity NPC201831
0.7216 Intermediate Similarity NPC230002
0.7214 Intermediate Similarity NPC473640
0.7207 Intermediate Similarity NPC63545
0.7204 Intermediate Similarity NPC478182
0.7204 Intermediate Similarity NPC267811
0.7204 Intermediate Similarity NPC478184
0.7202 Intermediate Similarity NPC191415
0.7196 Intermediate Similarity NPC227489
0.7196 Intermediate Similarity NPC476421
0.7196 Intermediate Similarity NPC28096
0.7196 Intermediate Similarity NPC469976
0.7196 Intermediate Similarity NPC226835
0.7194 Intermediate Similarity NPC310633
0.7188 Intermediate Similarity NPC477107
0.7188 Intermediate Similarity NPC477109
0.7188 Intermediate Similarity NPC477108
0.7186 Intermediate Similarity NPC326422
0.7178 Intermediate Similarity NPC293917
0.7178 Intermediate Similarity NPC100321
0.7177 Intermediate Similarity NPC128084
0.7172 Intermediate Similarity NPC243716
0.7166 Intermediate Similarity NPC42372
0.7158 Intermediate Similarity NPC64055
0.7156 Intermediate Similarity NPC470731
0.7156 Intermediate Similarity NPC470732
0.7151 Intermediate Similarity NPC225018
0.7143 Intermediate Similarity NPC216713
0.7143 Intermediate Similarity NPC17273
0.7143 Intermediate Similarity NPC135601
0.7143 Intermediate Similarity NPC111566
0.7143 Intermediate Similarity NPC141612
0.7135 Intermediate Similarity NPC145885
0.7135 Intermediate Similarity NPC14113
0.7135 Intermediate Similarity NPC84827
0.7128 Intermediate Similarity NPC109447
0.7126 Intermediate Similarity NPC198988
0.712 Intermediate Similarity NPC469785
0.712 Intermediate Similarity NPC293216
0.7112 Intermediate Similarity NPC317105

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474180 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
0.7525 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD2008 Discontinued
0.7457 Intermediate Similarity NPD786 Approved
0.7402 Intermediate Similarity NPD2443 Approved
0.7402 Intermediate Similarity NPD2442 Approved
0.7394 Intermediate Similarity NPD4128 Approved
0.7382 Intermediate Similarity NPD1707 Approved
0.7382 Intermediate Similarity NPD1895 Discontinued
0.7382 Intermediate Similarity NPD1708 Approved
0.7374 Intermediate Similarity NPD2172 Phase 1
0.7337 Intermediate Similarity NPD2880 Discontinued
0.732 Intermediate Similarity NPD5820 Clinical (unspecified phase)
0.7316 Intermediate Similarity NPD4181 Approved
0.7282 Intermediate Similarity NPD3961 Discontinued
0.7273 Intermediate Similarity NPD1722 Approved
0.7263 Intermediate Similarity NPD4075 Phase 2
0.726 Intermediate Similarity NPD2411 Approved
0.7259 Intermediate Similarity NPD6180 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD1332 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD6217 Discontinued
0.7222 Intermediate Similarity NPD3100 Discontinued
0.7198 Intermediate Similarity NPD2408 Discontinued
0.7194 Intermediate Similarity NPD3486 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD7970 Approved
0.719 Intermediate Similarity NPD7971 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD2642 Approved
0.7128 Intermediate Similarity NPD2639 Approved
0.7127 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD1600 Suspended
0.709 Intermediate Similarity NPD2185 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD6664 Approved
0.7065 Intermediate Similarity NPD7619 Phase 3
0.7065 Intermediate Similarity NPD7618 Phase 3
0.7062 Intermediate Similarity NPD2068 Approved
0.7062 Intermediate Similarity NPD2070 Approved
0.7062 Intermediate Similarity NPD2071 Approved
0.7062 Intermediate Similarity NPD2069 Approved
0.7062 Intermediate Similarity NPD6595 Phase 3
0.7056 Intermediate Similarity NPD7026 Phase 2
0.7056 Intermediate Similarity NPD5199 Approved
0.7056 Intermediate Similarity NPD5198 Approved
0.7041 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1248 Discontinued
0.702 Intermediate Similarity NPD2009 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD1506 Discontinued
0.7016 Intermediate Similarity NPD3347 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD1403 Approved
0.7005 Intermediate Similarity NPD1404 Approved
0.7 Intermediate Similarity NPD2390 Clinical (unspecified phase)
0.6995 Remote Similarity NPD749 Clinical (unspecified phase)
0.6995 Remote Similarity NPD2367 Phase 2
0.6974 Remote Similarity NPD6277 Clinical (unspecified phase)
0.697 Remote Similarity NPD2793 Discontinued
0.6963 Remote Similarity NPD4184 Clinical (unspecified phase)
0.6963 Remote Similarity NPD8256 Approved
0.6963 Remote Similarity NPD8258 Clinical (unspecified phase)
0.6963 Remote Similarity NPD8257 Approved
0.6961 Remote Similarity NPD1982 Phase 1
0.6959 Remote Similarity NPD6203 Clinical (unspecified phase)
0.6946 Remote Similarity NPD6278 Clinical (unspecified phase)
0.6946 Remote Similarity NPD2960 Clinical (unspecified phase)
0.6943 Remote Similarity NPD482 Approved
0.6942 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6939 Remote Similarity NPD4649 Clinical (unspecified phase)
0.6931 Remote Similarity NPD460 Discontinued
0.6919 Remote Similarity NPD6610 Clinical (unspecified phase)
0.6919 Remote Similarity NPD2837 Discontinued
0.6911 Remote Similarity NPD5069 Clinical (unspecified phase)
0.69 Remote Similarity NPD7175 Phase 1
0.6887 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6881 Remote Similarity NPD4922 Phase 2
0.6878 Remote Similarity NPD6771 Discontinued
0.6872 Remote Similarity NPD2144 Approved
0.6863 Remote Similarity NPD2290 Phase 3
0.6863 Remote Similarity NPD2289 Phase 3
0.6857 Remote Similarity NPD7445 Phase 1
0.6854 Remote Similarity NPD8458 Clinical (unspecified phase)
0.6854 Remote Similarity NPD7594 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6470 Phase 3
0.6851 Remote Similarity NPD2007 Clinical (unspecified phase)
0.6848 Remote Similarity NPD1183 Approved
0.6845 Remote Similarity NPD2150 Discontinued
0.6845 Remote Similarity NPD2405 Phase 3
0.6842 Remote Similarity NPD3323 Discontinued
0.6839 Remote Similarity NPD6828 Phase 2
0.6839 Remote Similarity NPD6827 Clinical (unspecified phase)
0.6839 Remote Similarity NPD1567 Clinical (unspecified phase)
0.6823 Remote Similarity NPD2641 Approved
0.6823 Remote Similarity NPD2640 Approved
0.6822 Remote Similarity NPD8488 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1994 Approved
0.6818 Remote Similarity NPD1993 Approved
0.6818 Remote Similarity NPD1995 Approved
0.6818 Remote Similarity NPD5728 Clinical (unspecified phase)
0.681 Remote Similarity NPD4023 Clinical (unspecified phase)
0.6806 Remote Similarity NPD1313 Approved
0.6804 Remote Similarity NPD750 Phase 2
0.6802 Remote Similarity NPD5508 Phase 1
0.6798 Remote Similarity NPD4615 Phase 2
0.6786 Remote Similarity NPD3506 Approved
0.6786 Remote Similarity NPD3505 Approved
0.6784 Remote Similarity NPD7564 Discontinued
0.6782 Remote Similarity NPD5686 Approved
0.6782 Remote Similarity NPD5685 Approved
0.6782 Remote Similarity NPD3870 Clinical (unspecified phase)
0.6782 Remote Similarity NPD3871 Clinical (unspecified phase)
0.6782 Remote Similarity NPD5145 Clinical (unspecified phase)
0.6771 Remote Similarity NPD438 Approved
0.6771 Remote Similarity NPD439 Approved
0.6769 Remote Similarity NPD5065 Approved
0.6768 Remote Similarity NPD3038 Discontinued
0.6762 Remote Similarity NPD6288 Clinical (unspecified phase)
0.6762 Remote Similarity NPD8272 Phase 2
0.676 Remote Similarity NPD1262 Discovery
0.6758 Remote Similarity NPD4637 Clinical (unspecified phase)
0.6757 Remote Similarity NPD6164 Phase 2
0.6757 Remote Similarity NPD6165 Phase 2
0.6756 Remote Similarity NPD8047 Clinical (unspecified phase)
0.6755 Remote Similarity NPD2580 Discontinued
0.6751 Remote Similarity NPD4076 Approved
0.6751 Remote Similarity NPD4079 Approved
0.6751 Remote Similarity NPD3341 Clinical (unspecified phase)
0.6746 Remote Similarity NPD3015 Discontinued
0.6746 Remote Similarity NPD2881 Approved
0.6746 Remote Similarity NPD2879 Approved
0.6745 Remote Similarity NPD6459 Phase 2
0.674 Remote Similarity NPD3943 Clinical (unspecified phase)
0.6736 Remote Similarity NPD4779 Clinical (unspecified phase)
0.6736 Remote Similarity NPD2333 Discontinued
0.6735 Remote Similarity NPD7402 Clinical (unspecified phase)
0.6735 Remote Similarity NPD6044 Discontinued
0.6734 Remote Similarity NPD5105 Approved
0.6734 Remote Similarity NPD2095 Phase 2
0.6734 Remote Similarity NPD2094 Phase 2
0.6734 Remote Similarity NPD2092 Phase 2
0.6734 Remote Similarity NPD5106 Approved
0.6728 Remote Similarity NPD8406 Clinical (unspecified phase)
0.672 Remote Similarity NPD4463 Approved
0.672 Remote Similarity NPD4462 Approved
0.6717 Remote Similarity NPD5962 Phase 2
0.6716 Remote Similarity NPD3378 Clinical (unspecified phase)
0.6701 Remote Similarity NPD7111 Discontinued
0.67 Remote Similarity NPD2091 Phase 2
0.67 Remote Similarity NPD2096 Phase 2
0.6699 Remote Similarity NPD2316 Clinical (unspecified phase)
0.6697 Remote Similarity NPD6849 Phase 2
0.6697 Remote Similarity NPD6850 Phase 2
0.6667 Remote Similarity NPD473 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4341 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3609 Approved
0.6667 Remote Similarity NPD3610 Approved
0.6667 Remote Similarity NPD1327 Discontinued
0.6667 Remote Similarity NPD6268 Phase 1
0.6667 Remote Similarity NPD3583 Phase 2
0.6667 Remote Similarity NPD6269 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1658 Discontinued
0.6667 Remote Similarity NPD2930 Clinical (unspecified phase)
0.665 Remote Similarity NPD3320 Approved
0.665 Remote Similarity NPD3318 Approved
0.665 Remote Similarity NPD3319 Phase 1
0.6649 Remote Similarity NPD1683 Approved
0.6649 Remote Similarity NPD7287 Clinical (unspecified phase)
0.6636 Remote Similarity NPD7704 Clinical (unspecified phase)
0.6635 Remote Similarity NPD2364 Suspended
0.6635 Remote Similarity NPD7459 Phase 2
0.6634 Remote Similarity NPD3430 Approved
0.6634 Remote Similarity NPD7098 Clinical (unspecified phase)
0.6634 Remote Similarity NPD3431 Approved
0.6634 Remote Similarity NPD706 Phase 1
0.6632 Remote Similarity NPD509 Phase 3
0.6631 Remote Similarity NPD1029 Clinical (unspecified phase)
0.6631 Remote Similarity NPD1030 Approved
0.6631 Remote Similarity NPD1027 Approved
0.663 Remote Similarity NPD5254 Discontinued
0.662 Remote Similarity NPD7657 Approved
0.662 Remote Similarity NPD7656 Approved
0.662 Remote Similarity NPD6838 Clinical (unspecified phase)
0.662 Remote Similarity NPD6328 Clinical (unspecified phase)
0.662 Remote Similarity NPD3905 Phase 3
0.6619 Remote Similarity NPD5017 Discontinued
0.6618 Remote Similarity NPD7023 Clinical (unspecified phase)
0.6616 Remote Similarity NPD1272 Clinical (unspecified phase)
0.6615 Remote Similarity NPD1853 Clinical (unspecified phase)
0.6615 Remote Similarity NPD2875 Clinical (unspecified phase)
0.6605 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6604 Remote Similarity NPD7207 Approved
0.6604 Remote Similarity NPD7208 Approved
0.6604 Remote Similarity NPD7209 Approved
0.6602 Remote Similarity NPD3485 Clinical (unspecified phase)
0.6601 Remote Similarity NPD6141 Clinical (unspecified phase)
0.6601 Remote Similarity NPD7394 Phase 2
0.6598 Remote Similarity NPD5611 Phase 2
0.6593 Remote Similarity NPD8317 Phase 2
0.6593 Remote Similarity NPD8316 Phase 2
0.659 Remote Similarity NPD8094 Discontinued
0.6589 Remote Similarity NPD2510 Approved

Structure

External Identifiers

PubChem CID   10404564
ChEMBL   CHEMBL463249
ZINC  

Physicochemical Properties

Molecular Weight:  332.03
ALogP:  0.101
MLogP:  2.34
XLogP:  3.177
# Rotatable Bonds:  4
Polar Surface Area:  63.19
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  20

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Biological Activities  
Similar NPs/Drugs