Natural Product: NPC120545

Natural Product ID:  NPC120545
Common Name:   2-Hydroxyanthraquinone
IUPAC Name:   2-hydroxyanthracene-9,10-dione
Synonyms:  
Molecular Formula:   C14H8O3
Standard InCHIKey:  GCDBEYOJCZLKMC-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H8O3/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7,15H
Canonical SMILES:  Oc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
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
NPO27363 Gynochthodes officinalis Species Rubiaceae Eukaryota TCMID*
NPO12327 Senna occidentalis Species Fabaceae Eukaryota TCMID*
NPO19956 Pulveroboletus retipes Species Boletaceae Eukaryota UNPD*
NPO15980 Croton penduliflorus Species Euphorbiaceae Eukaryota UNPD*
NPO20822 Asperula odora Species Rubiaceae Eukaryota UNPD*
NPO8020 Lychnophora columnaris Species Asteraceae Eukaryota UNPD*
NPO19792 Populus tomentosa Species Salicaceae Eukaryota UNPD*
NPO30179 Cassia occidentalis Species Fabaceae Eukaryota HerDing*
NPO30535 Morinda umbellata Species Rubiaceae Eukaryota TCM_Taiwan*
NPO30535 Morinda umbellata Species Rubiaceae Eukaryota HerDing*
NPO30972 Morinda officinalis Species Rubiaceae Eukaryota HerDing*
NPO20572 Vepris louisii Species Rutaceae Eukaryota UNPD*
NPO20364 Ophelia bicornis Species Opheliidae Eukaryota UNPD*
NPO20064 Litsea konishii Species Lauraceae Eukaryota UNPD*
NPO21199 Alangium platanifolium Species Cornaceae Eukaryota UNPD*
NPO20880 Conocybe siliginea Species Bolbitiaceae Eukaryota UNPD*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO4192 Gynochthodes umbellata Species Rubiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT13 Individual Protein Tyrosine-protein kinase LCK Homo sapiens IC50 = 20 ug/ml 1479375
NPT2 Others Unspecified IC50 = 66000 nM 10.1007/s00044-012-0197-5
NPT90 Cell Line DU-145 Homo sapiens IC50 = 72000 nM 10.1007/s00044-012-0197-5
NPT83 Cell Line MCF7 Homo sapiens IC50 = 69000 nM 10.1007/s00044-012-0197-5
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 3470.8 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 27333.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 9698.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30933.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4860.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13817.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1935.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13699.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61192.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 2756.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68659.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34411.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8643.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54538.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 77037.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17246.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6865.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21712 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 NPC120545 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9913 High Similarity NPC91478
0.9421 High Similarity NPC234175
0.9244 High Similarity NPC300274
0.9194 High Similarity NPC93015
0.9167 High Similarity NPC375356
0.9048 High Similarity NPC294226
0.9048 High Similarity NPC52407
0.9032 High Similarity NPC99731
0.9016 High Similarity NPC103540
0.8976 High Similarity NPC44437
0.8957 High Similarity NPC231717
0.8952 High Similarity NPC96024
0.8943 High Similarity NPC96915
0.8934 High Similarity NPC142956
0.8889 High Similarity NPC322197
0.888 High Similarity NPC276238
0.8871 High Similarity NPC84672
0.8871 High Similarity NPC78364
0.8871 High Similarity NPC69424
0.8871 High Similarity NPC176130
0.8828 High Similarity NPC50924
0.881 High Similarity NPC27659
0.881 High Similarity NPC199253
0.881 High Similarity NPC136588
0.881 High Similarity NPC108129
0.88 High Similarity NPC282923
0.879 High Similarity NPC15837
0.879 High Similarity NPC254492
0.879 High Similarity NPC177925
0.878 High Similarity NPC199273
0.878 High Similarity NPC164014
0.8772 High Similarity NPC17525
0.877 High Similarity NPC282577
0.8769 High Similarity NPC53414
0.8769 High Similarity NPC53206
0.876 High Similarity NPC80035
0.876 High Similarity NPC258502
0.876 High Similarity NPC190971
0.875 High Similarity NPC225051
0.874 High Similarity NPC244699
0.872 High Similarity NPC72667
0.8702 High Similarity NPC4214
0.8702 High Similarity NPC61398
0.8702 High Similarity NPC416
0.8702 High Similarity NPC13715
0.8692 High Similarity NPC254847
0.8678 High Similarity NPC206778
0.8678 High Similarity NPC285829
0.8672 High Similarity NPC70622
0.8661 High Similarity NPC31799
0.8651 High Similarity NPC48248
0.864 High Similarity NPC3224
0.8636 High Similarity NPC242994
0.8636 High Similarity NPC138099
0.8629 High Similarity NPC173978
0.8626 High Similarity NPC471905
0.8626 High Similarity NPC147418
0.8621 High Similarity NPC116842
0.8618 High Similarity NPC307174
0.8615 High Similarity NPC283088
0.8607 High Similarity NPC248363
0.8605 High Similarity NPC53896
0.8594 High Similarity NPC471851
0.8594 High Similarity NPC205992
0.8583 High Similarity NPC34414
0.8583 High Similarity NPC146647
0.8583 High Similarity NPC303910
0.8583 High Similarity NPC171460
0.8571 High Similarity NPC181560
0.8571 High Similarity NPC203063
0.8571 High Similarity NPC169452
0.856 High Similarity NPC123506
0.855 High Similarity NPC155211
0.8547 High Similarity NPC268388
0.8538 High Similarity NPC202225
0.8538 High Similarity NPC288089
0.8534 High Similarity NPC95172
0.8522 High Similarity NPC34715
0.8522 High Similarity NPC226699
0.8516 High Similarity NPC117609
0.8504 High Similarity NPC95537
0.85 High Similarity NPC108288
0.8496 Intermediate Similarity NPC143438
0.8496 Intermediate Similarity NPC190457
0.8492 Intermediate Similarity NPC160499
0.8492 Intermediate Similarity NPC231774
0.8485 Intermediate Similarity NPC264022
0.848 Intermediate Similarity NPC310540
0.8473 Intermediate Similarity NPC153088
0.8468 Intermediate Similarity NPC68167
0.8468 Intermediate Similarity NPC164947
0.8468 Intermediate Similarity NPC176208
0.8462 Intermediate Similarity NPC267205
0.8462 Intermediate Similarity NPC78307
0.8462 Intermediate Similarity NPC477139
0.8462 Intermediate Similarity NPC115458
0.8462 Intermediate Similarity NPC111845
0.8455 Intermediate Similarity NPC216216
0.845 Intermediate Similarity NPC474517
0.845 Intermediate Similarity NPC72669
0.8444 Intermediate Similarity NPC73061
0.8444 Intermediate Similarity NPC19631
0.8444 Intermediate Similarity NPC239136
0.8444 Intermediate Similarity NPC193555
0.8435 Intermediate Similarity NPC6984
0.843 Intermediate Similarity NPC150919
0.8425 Intermediate Similarity NPC324209
0.8403 Intermediate Similarity NPC196673
0.8403 Intermediate Similarity NPC242136
0.8397 Intermediate Similarity NPC166480
0.8397 Intermediate Similarity NPC282780
0.8387 Intermediate Similarity NPC295034
0.8382 Intermediate Similarity NPC238629
0.8382 Intermediate Similarity NPC66593
0.8374 Intermediate Similarity NPC190501
0.8374 Intermediate Similarity NPC318552
0.8372 Intermediate Similarity NPC55949
0.837 Intermediate Similarity NPC246638
0.837 Intermediate Similarity NPC290550
0.837 Intermediate Similarity NPC204045
0.837 Intermediate Similarity NPC305845
0.8362 Intermediate Similarity NPC141523
0.8361 Intermediate Similarity NPC249435
0.8361 Intermediate Similarity NPC328694
0.8359 Intermediate Similarity NPC3009
0.8358 Intermediate Similarity NPC26924
0.8346 Intermediate Similarity NPC8745
0.8346 Intermediate Similarity NPC36868
0.8346 Intermediate Similarity NPC306765
0.8346 Intermediate Similarity NPC475957
0.8333 Intermediate Similarity NPC234890
0.8333 Intermediate Similarity NPC74507
0.8321 Intermediate Similarity NPC193703
0.8321 Intermediate Similarity NPC138472
0.8321 Intermediate Similarity NPC21599
0.8321 Intermediate Similarity NPC171968
0.8321 Intermediate Similarity NPC4170
0.8321 Intermediate Similarity NPC314048
0.832 Intermediate Similarity NPC283514
0.8309 Intermediate Similarity NPC176030
0.8309 Intermediate Similarity NPC141817
0.8309 Intermediate Similarity NPC229218
0.8309 Intermediate Similarity NPC135524
0.8309 Intermediate Similarity NPC192597
0.8309 Intermediate Similarity NPC169214
0.8296 Intermediate Similarity NPC315578
0.8296 Intermediate Similarity NPC96421
0.8295 Intermediate Similarity NPC25736
0.8295 Intermediate Similarity NPC92624
0.8293 Intermediate Similarity NPC42657
0.8284 Intermediate Similarity NPC469680
0.8284 Intermediate Similarity NPC471974
0.8284 Intermediate Similarity NPC469681
0.8281 Intermediate Similarity NPC107672
0.8276 Intermediate Similarity NPC95178
0.8276 Intermediate Similarity NPC29989
0.8276 Intermediate Similarity NPC69332
0.8271 Intermediate Similarity NPC191976
0.8271 Intermediate Similarity NPC38158
0.8271 Intermediate Similarity NPC141934
0.8271 Intermediate Similarity NPC193358
0.8271 Intermediate Similarity NPC7464
0.8271 Intermediate Similarity NPC272268
0.8271 Intermediate Similarity NPC474813
0.8268 Intermediate Similarity NPC10926
0.8264 Intermediate Similarity NPC161304
0.8261 Intermediate Similarity NPC73416
0.8261 Intermediate Similarity NPC160777
0.8261 Intermediate Similarity NPC478019
0.8254 Intermediate Similarity NPC135062
0.8254 Intermediate Similarity NPC275145
0.8254 Intermediate Similarity NPC273683
0.8244 Intermediate Similarity NPC477407
0.8244 Intermediate Similarity NPC58685
0.824 Intermediate Similarity NPC154696
0.824 Intermediate Similarity NPC198336
0.8235 Intermediate Similarity NPC477275
0.8235 Intermediate Similarity NPC114682
0.8235 Intermediate Similarity NPC212718
0.8231 Intermediate Similarity NPC259942
0.8226 Intermediate Similarity NPC159525
0.8226 Intermediate Similarity NPC473662
0.8226 Intermediate Similarity NPC7151
0.8226 Intermediate Similarity NPC216297
0.822 Intermediate Similarity NPC88141
0.8217 Intermediate Similarity NPC237225
0.8217 Intermediate Similarity NPC229894
0.8209 Intermediate Similarity NPC245923
0.8201 Intermediate Similarity NPC314437
0.8197 Intermediate Similarity NPC477453
0.8197 Intermediate Similarity NPC158157
0.8195 Intermediate Similarity NPC72918
0.8189 Intermediate Similarity NPC68756
0.8189 Intermediate Similarity NPC152525
0.8189 Intermediate Similarity NPC236189
0.8189 Intermediate Similarity NPC474766
0.8189 Intermediate Similarity NPC13238
0.8188 Intermediate Similarity NPC471906
0.8188 Intermediate Similarity NPC48762
0.8188 Intermediate Similarity NPC244691

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC120545 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
0.9016 High Similarity NPD1470 Approved
0.8843 High Similarity NPD1201 Approved
0.8692 High Similarity NPD1509 Clinical (unspecified phase)
0.85 High Similarity NPD405 Clinical (unspecified phase)
0.8374 Intermediate Similarity NPD3019 Approved
0.8226 Intermediate Similarity NPD2932 Approved
0.8092 Intermediate Similarity NPD3764 Approved
0.797 Intermediate Similarity NPD943 Approved
0.7941 Intermediate Similarity NPD5405 Approved
0.7941 Intermediate Similarity NPD5404 Approved
0.7941 Intermediate Similarity NPD5406 Approved
0.7941 Intermediate Similarity NPD5408 Approved
0.7899 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7846 Intermediate Similarity NPD1164 Approved
0.7801 Intermediate Similarity NPD7390 Discontinued
0.7742 Intermediate Similarity NPD5951 Approved
0.7734 Intermediate Similarity NPD3026 Approved
0.7734 Intermediate Similarity NPD3023 Approved
0.7717 Intermediate Similarity NPD3024 Approved
0.7717 Intermediate Similarity NPD3025 Approved
0.7634 Intermediate Similarity NPD1876 Approved
0.7634 Intermediate Similarity NPD1283 Approved
0.7626 Intermediate Similarity NPD2344 Approved
0.7615 Intermediate Similarity NPD4878 Approved
0.7615 Intermediate Similarity NPD3972 Approved
0.7609 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD2342 Discontinued
0.7578 Intermediate Similarity NPD1651 Approved
0.7534 Intermediate Similarity NPD3226 Approved
0.75 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2346 Discontinued
0.75 Intermediate Similarity NPD1237 Approved
0.75 Intermediate Similarity NPD6663 Approved
0.75 Intermediate Similarity NPD9545 Approved
0.7482 Intermediate Similarity NPD1510 Phase 2
0.7465 Intermediate Similarity NPD7003 Approved
0.7464 Intermediate Similarity NPD1607 Approved
0.7463 Intermediate Similarity NPD5736 Approved
0.7458 Intermediate Similarity NPD3020 Approved
0.7445 Intermediate Similarity NPD1240 Approved
0.7413 Intermediate Similarity NPD2309 Approved
0.7405 Intermediate Similarity NPD1281 Approved
0.7385 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD2286 Discontinued
0.7379 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD1471 Phase 3
0.7364 Intermediate Similarity NPD3091 Approved
0.7361 Intermediate Similarity NPD3300 Phase 2
0.735 Intermediate Similarity NPD2859 Approved
0.735 Intermediate Similarity NPD2860 Approved
0.7348 Intermediate Similarity NPD9269 Phase 2
0.7343 Intermediate Similarity NPD8166 Discontinued
0.7343 Intermediate Similarity NPD3750 Approved
0.7333 Intermediate Similarity NPD1932 Approved
0.7333 Intermediate Similarity NPD9494 Approved
0.7329 Intermediate Similarity NPD6273 Approved
0.7308 Intermediate Similarity NPD9268 Approved
0.7305 Intermediate Similarity NPD2935 Discontinued
0.7293 Intermediate Similarity NPD1755 Approved
0.7273 Intermediate Similarity NPD1930 Approved
0.7273 Intermediate Similarity NPD1929 Approved
0.7273 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD2934 Approved
0.7265 Intermediate Similarity NPD2933 Approved
0.7259 Intermediate Similarity NPD2798 Approved
0.7258 Intermediate Similarity NPD9266 Approved
0.7258 Intermediate Similarity NPD74 Approved
0.7252 Intermediate Similarity NPD4059 Approved
0.7234 Intermediate Similarity NPD2799 Discontinued
0.7226 Intermediate Similarity NPD6232 Discontinued
0.7218 Intermediate Similarity NPD1608 Approved
0.7203 Intermediate Similarity NPD1549 Phase 2
0.72 Intermediate Similarity NPD3021 Approved
0.72 Intermediate Similarity NPD3022 Approved
0.7197 Intermediate Similarity NPD4879 Approved
0.7197 Intermediate Similarity NPD7473 Discontinued
0.7181 Intermediate Similarity NPD7458 Discontinued
0.7177 Intermediate Similarity NPD9263 Approved
0.7177 Intermediate Similarity NPD9264 Approved
0.7177 Intermediate Similarity NPD9267 Approved
0.7176 Intermediate Similarity NPD4093 Discontinued
0.7174 Intermediate Similarity NPD2313 Discontinued
0.7165 Intermediate Similarity NPD7635 Approved
0.7143 Intermediate Similarity NPD3092 Approved
0.7143 Intermediate Similarity NPD288 Approved
0.7133 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD1242 Phase 1
0.7105 Intermediate Similarity NPD7819 Suspended
0.7103 Intermediate Similarity NPD4628 Phase 3
0.7083 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD3749 Approved
0.7077 Intermediate Similarity NPD9493 Approved
0.7075 Intermediate Similarity NPD1511 Approved
0.7067 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD844 Approved
0.7027 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD230 Phase 1
0.7015 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8032 Phase 2
0.6993 Remote Similarity NPD3748 Approved
0.6992 Remote Similarity NPD3095 Discontinued
0.6992 Remote Similarity NPD17 Approved
0.6992 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6992 Remote Similarity NPD4626 Approved
0.6984 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6984 Remote Similarity NPD2329 Discontinued
0.698 Remote Similarity NPD1512 Approved
0.6978 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6978 Remote Similarity NPD7008 Discontinued
0.6977 Remote Similarity NPD1241 Discontinued
0.6975 Remote Similarity NPD688 Clinical (unspecified phase)
0.6967 Remote Similarity NPD289 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6959 Discontinued
0.6939 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6939 Remote Similarity NPD6190 Approved
0.6934 Remote Similarity NPD1203 Approved
0.6934 Remote Similarity NPD3094 Phase 2
0.6923 Remote Similarity NPD9258 Approved
0.6923 Remote Similarity NPD9256 Approved
0.6912 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6908 Remote Similarity NPD4380 Phase 2
0.6897 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6894 Remote Similarity NPD7610 Discontinued
0.6892 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6891 Remote Similarity NPD1202 Approved
0.6885 Remote Similarity NPD2066 Phase 3
0.6883 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6883 Remote Similarity NPD1465 Phase 2
0.6875 Remote Similarity NPD4308 Phase 3
0.687 Remote Similarity NPD255 Approved
0.687 Remote Similarity NPD256 Approved
0.6866 Remote Similarity NPD1751 Approved
0.6855 Remote Similarity NPD9261 Approved
0.6846 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6839 Remote Similarity NPD2296 Approved
0.6839 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6838 Remote Similarity NPD1481 Phase 2
0.6831 Remote Similarity NPD2979 Phase 3
0.6828 Remote Similarity NPD6100 Approved
0.6828 Remote Similarity NPD6099 Approved
0.6828 Remote Similarity NPD2796 Approved
0.6818 Remote Similarity NPD1934 Approved
0.6812 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6812 Remote Similarity NPD2797 Approved
0.681 Remote Similarity NPD650 Approved
0.6809 Remote Similarity NPD3268 Approved
0.68 Remote Similarity NPD2532 Approved
0.68 Remote Similarity NPD2534 Approved
0.68 Remote Similarity NPD2533 Approved
0.68 Remote Similarity NPD164 Approved
0.6797 Remote Similarity NPD1792 Phase 2
0.6795 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6794 Remote Similarity NPD9281 Approved
0.679 Remote Similarity NPD5844 Phase 1
0.6788 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6783 Remote Similarity NPD111 Approved
0.6777 Remote Similarity NPD1809 Phase 2
0.6774 Remote Similarity NPD2801 Approved
0.6765 Remote Similarity NPD1535 Discovery
0.6753 Remote Similarity NPD7411 Suspended
0.675 Remote Similarity NPD845 Approved
0.6744 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6738 Remote Similarity NPD5155 Approved
0.6738 Remote Similarity NPD5156 Approved
0.6731 Remote Similarity NPD5977 Approved
0.6731 Remote Similarity NPD5978 Approved
0.6723 Remote Similarity NPD1239 Approved
0.6723 Remote Similarity NPD7609 Phase 3
0.6711 Remote Similarity NPD2354 Approved
0.6711 Remote Similarity NPD6980 Clinical (unspecified phase)
0.671 Remote Similarity NPD7577 Discontinued
0.6692 Remote Similarity NPD9568 Approved
0.6688 Remote Similarity NPD3882 Suspended
0.6667 Remote Similarity NPD5691 Approved
0.6667 Remote Similarity NPD3594 Approved
0.6667 Remote Similarity NPD2605 Approved
0.6667 Remote Similarity NPD497 Approved
0.6667 Remote Similarity NPD7631 Approved
0.6667 Remote Similarity NPD3595 Approved
0.6667 Remote Similarity NPD2606 Approved
0.6667 Remote Similarity NPD1508 Approved
0.6667 Remote Similarity NPD4750 Phase 3
0.6646 Remote Similarity NPD7075 Discontinued
0.6643 Remote Similarity NPD258 Approved
0.6643 Remote Similarity NPD257 Approved
0.6643 Remote Similarity NPD4980 Approved
0.6643 Remote Similarity NPD4624 Approved
0.6642 Remote Similarity NPD5536 Phase 2
0.664 Remote Similarity NPD846 Approved
0.664 Remote Similarity NPD940 Approved
0.6626 Remote Similarity NPD7177 Discontinued
0.662 Remote Similarity NPD7095 Approved
0.6615 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6613 Remote Similarity NPD1238 Approved

Structure

External Identifiers

PubChem CID   11796
ChEMBL   CHEMBL446963
ZINC  

Physicochemical Properties

Molecular Weight:  224.05
ALogP:  -0.9879
MLogP:  2.67
XLogP:  2.689
# Rotatable Bonds:  1
Polar Surface Area:  54.37
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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