Natural Product: NPC17042

Natural Product ID:  NPC17042
Common Name:   Phelligridin I
IUPAC Name:   3-[(E)-2-[2-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]-4,5-dihydroxyphenyl]ethenyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
Synonyms:   Phelligridin I
Molecular Formula:   C33H20O13
Standard InCHIKey:  ZNLSHKJBXWCRKW-CLLRDSTBSA-N
Standard InCHI:  InChI=1S/C33H20O13/c34-21-6-2-14(7-22(21)35)1-4-16-9-27(40)29(32(42)44-16)18-11-24(37)23(36)8-15(18)3-5-17-10-28-30(33(43)45-17)19-12-25(38)26(39)13-20(19)31(41)46-28/h1-13,34-40H/b4-1+,5-3+
Canonical SMILES:  Oc1cc(c(cc1O)/C=C/c1oc(=O)c2c(c1)oc(=O)c1c2cc(O)c(c1)O)c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O
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
NPO24588 Phellinus igniarius Species Hymenochaetaceae Eukaryota PMID[17279797]
NPO28770 Neorhodomela larix Species Rhodomelaceae Eukaryota UNPD*
NPO6491 Bazzania japonica Species Lepidoziaceae Eukaryota UNPD*
NPO14085 Solanum laciniatum Species Solanaceae Eukaryota UNPD*
NPO3350 Didemnum conchyliatum Species Didemnidae Eukaryota UNPD*
NPO13271 Litsea citrata Species Lauraceae Eukaryota UNPD*
NPO17321 Sequoia glyptostroboides Species Cupressaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 10 ug/ml 17279797
NPT180 Cell Line HCT-8 Homo sapiens IC50 > 10 ug/ml 17279797
NPT1084 Subcellular Liver microsomes Rattus norvegicus IC50 = 3700 nM 17279797
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens IC50 = 3000 nM 17279797
NPT2 Others Unspecified Ratio IC50 = 1.45 17980585
NPT2 Others Unspecified Ratio IC50 = 0.43 17980585
NPT2 Others Unspecified IC50 = 93600 nM 17980585

  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 NPC17042 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 NPC155910
0.9571 High Similarity NPC91546
0.95 High Similarity NPC290664
0.9189 High Similarity NPC270268
0.9155 High Similarity NPC191280
0.9078 High Similarity NPC156307
0.9026 High Similarity NPC322982
0.8904 High Similarity NPC470130
0.8819 High Similarity NPC257173
0.875 High Similarity NPC47386
0.8714 High Similarity NPC94810
0.8581 High Similarity NPC123208
0.8526 High Similarity NPC167098
0.8526 High Similarity NPC296044
0.8511 High Similarity NPC167463
0.8503 High Similarity NPC134969
0.8471 Intermediate Similarity NPC471750
0.8467 Intermediate Similarity NPC257025
0.8452 Intermediate Similarity NPC469888
0.8451 Intermediate Similarity NPC208536
0.8451 Intermediate Similarity NPC64111
0.8446 Intermediate Similarity NPC9218
0.8442 Intermediate Similarity NPC267091
0.8421 Intermediate Similarity NPC142528
0.8397 Intermediate Similarity NPC203757
0.8392 Intermediate Similarity NPC285361
0.838 Intermediate Similarity NPC46192
0.8377 Intermediate Similarity NPC243891
0.8344 Intermediate Similarity NPC477333
0.8333 Intermediate Similarity NPC285550
0.8322 Intermediate Similarity NPC326065
0.8322 Intermediate Similarity NPC226855
0.8322 Intermediate Similarity NPC38473
0.831 Intermediate Similarity NPC158654
0.8301 Intermediate Similarity NPC472969
0.8291 Intermediate Similarity NPC68324
0.8291 Intermediate Similarity NPC160512
0.8291 Intermediate Similarity NPC114179
0.8291 Intermediate Similarity NPC289322
0.8291 Intermediate Similarity NPC187205
0.8291 Intermediate Similarity NPC156818
0.8291 Intermediate Similarity NPC38779
0.8289 Intermediate Similarity NPC75295
0.828 Intermediate Similarity NPC472835
0.8278 Intermediate Similarity NPC190587
0.8278 Intermediate Similarity NPC183824
0.8278 Intermediate Similarity NPC121573
0.8278 Intermediate Similarity NPC226738
0.8278 Intermediate Similarity NPC22176
0.8272 Intermediate Similarity NPC175793
0.8269 Intermediate Similarity NPC473544
0.8269 Intermediate Similarity NPC83663
0.8269 Intermediate Similarity NPC266084
0.8269 Intermediate Similarity NPC475162
0.8269 Intermediate Similarity NPC475595
0.8269 Intermediate Similarity NPC475145
0.8269 Intermediate Similarity NPC475216
0.8261 Intermediate Similarity NPC67959
0.8258 Intermediate Similarity NPC252979
0.8247 Intermediate Similarity NPC42464
0.8247 Intermediate Similarity NPC476394
0.8247 Intermediate Similarity NPC98809
0.8235 Intermediate Similarity NPC229264
0.8232 Intermediate Similarity NPC470272
0.8228 Intermediate Similarity NPC318432
0.8228 Intermediate Similarity NPC247629
0.8228 Intermediate Similarity NPC471968
0.8228 Intermediate Similarity NPC300845
0.8228 Intermediate Similarity NPC239019
0.8228 Intermediate Similarity NPC104983
0.8228 Intermediate Similarity NPC250436
0.8228 Intermediate Similarity NPC134925
0.8228 Intermediate Similarity NPC291948
0.8228 Intermediate Similarity NPC88803
0.8221 Intermediate Similarity NPC43918
0.8221 Intermediate Similarity NPC217781
0.8221 Intermediate Similarity NPC261411
0.8221 Intermediate Similarity NPC311389
0.8221 Intermediate Similarity NPC470271
0.8221 Intermediate Similarity NPC190204
0.821 Intermediate Similarity NPC166851
0.821 Intermediate Similarity NPC142614
0.821 Intermediate Similarity NPC162169
0.8207 Intermediate Similarity NPC318799
0.8199 Intermediate Similarity NPC291957
0.8199 Intermediate Similarity NPC14030
0.8194 Intermediate Similarity NPC306343
0.8187 Intermediate Similarity NPC24627
0.8187 Intermediate Similarity NPC476373
0.8187 Intermediate Similarity NPC24164
0.8187 Intermediate Similarity NPC300680
0.8187 Intermediate Similarity NPC53889
0.8182 Intermediate Similarity NPC43123
0.8176 Intermediate Similarity NPC172419
0.8176 Intermediate Similarity NPC326847
0.8176 Intermediate Similarity NPC133984
0.8176 Intermediate Similarity NPC156892
0.8176 Intermediate Similarity NPC238419
0.8171 Intermediate Similarity NPC202428
0.8171 Intermediate Similarity NPC266545
0.817 Intermediate Similarity NPC262282
0.817 Intermediate Similarity NPC258856
0.8165 Intermediate Similarity NPC80489
0.8163 Intermediate Similarity NPC106406
0.816 Intermediate Similarity NPC26536
0.816 Intermediate Similarity NPC49983
0.816 Intermediate Similarity NPC317671
0.816 Intermediate Similarity NPC142707
0.8158 Intermediate Similarity NPC473090
0.8156 Intermediate Similarity NPC285345
0.8153 Intermediate Similarity NPC16024
0.8153 Intermediate Similarity NPC44260
0.8153 Intermediate Similarity NPC61152
0.8153 Intermediate Similarity NPC205037
0.8153 Intermediate Similarity NPC3746
0.8148 Intermediate Similarity NPC45943
0.8148 Intermediate Similarity NPC470898
0.8146 Intermediate Similarity NPC13818
0.8146 Intermediate Similarity NPC206095
0.8146 Intermediate Similarity NPC477335
0.8146 Intermediate Similarity NPC224389
0.8146 Intermediate Similarity NPC35702
0.8146 Intermediate Similarity NPC471027
0.8146 Intermediate Similarity NPC297517
0.8141 Intermediate Similarity NPC477334
0.8141 Intermediate Similarity NPC140151
0.8137 Intermediate Similarity NPC266365
0.8129 Intermediate Similarity NPC107636
0.8125 Intermediate Similarity NPC87317
0.8125 Intermediate Similarity NPC104222
0.8125 Intermediate Similarity NPC114791
0.8125 Intermediate Similarity NPC141331
0.8125 Intermediate Similarity NPC318826
0.8125 Intermediate Similarity NPC210501
0.8121 Intermediate Similarity NPC62907
0.8121 Intermediate Similarity NPC47521
0.8113 Intermediate Similarity NPC473275
0.8113 Intermediate Similarity NPC470896
0.811 Intermediate Similarity NPC31034
0.811 Intermediate Similarity NPC177362
0.8108 Intermediate Similarity NPC18646
0.8101 Intermediate Similarity NPC125487
0.8101 Intermediate Similarity NPC281703
0.8099 Intermediate Similarity NPC85565
0.8095 Intermediate Similarity NPC239855
0.8095 Intermediate Similarity NPC159418
0.8095 Intermediate Similarity NPC283823
0.8092 Intermediate Similarity NPC176030
0.8092 Intermediate Similarity NPC258469
0.8092 Intermediate Similarity NPC192831
0.8092 Intermediate Similarity NPC277315
0.8092 Intermediate Similarity NPC141817
0.8092 Intermediate Similarity NPC37331
0.8092 Intermediate Similarity NPC43158
0.8092 Intermediate Similarity NPC192597
0.8092 Intermediate Similarity NPC284948
0.8092 Intermediate Similarity NPC319628
0.8092 Intermediate Similarity NPC169214
0.8092 Intermediate Similarity NPC220664
0.8092 Intermediate Similarity NPC472016
0.8092 Intermediate Similarity NPC303090
0.8092 Intermediate Similarity NPC229218
0.8089 Intermediate Similarity NPC75695
0.8089 Intermediate Similarity NPC124842
0.8086 Intermediate Similarity NPC144557
0.8086 Intermediate Similarity NPC145847
0.8086 Intermediate Similarity NPC476372
0.8086 Intermediate Similarity NPC476371
0.8086 Intermediate Similarity NPC473445
0.8077 Intermediate Similarity NPC327962
0.8077 Intermediate Similarity NPC261322
0.8077 Intermediate Similarity NPC142654
0.8077 Intermediate Similarity NPC300983
0.8075 Intermediate Similarity NPC289346
0.8065 Intermediate Similarity NPC120621
0.8065 Intermediate Similarity NPC119767
0.8065 Intermediate Similarity NPC192568
0.8065 Intermediate Similarity NPC1580
0.8065 Intermediate Similarity NPC471076
0.8065 Intermediate Similarity NPC476463
0.8065 Intermediate Similarity NPC248257
0.8063 Intermediate Similarity NPC112954
0.8063 Intermediate Similarity NPC143328
0.8061 Intermediate Similarity NPC216403
0.8061 Intermediate Similarity NPC186100
0.8061 Intermediate Similarity NPC41494
0.805 Intermediate Similarity NPC145425
0.8049 Intermediate Similarity NPC200726
0.8047 Intermediate Similarity NPC198902
0.8042 Intermediate Similarity NPC197832
0.8042 Intermediate Similarity NPC67951
0.8039 Intermediate Similarity NPC469615
0.8039 Intermediate Similarity NPC134975
0.8039 Intermediate Similarity NPC160378
0.8038 Intermediate Similarity NPC295646
0.8038 Intermediate Similarity NPC474656
0.8037 Intermediate Similarity NPC173729
0.8037 Intermediate Similarity NPC109990
0.8037 Intermediate Similarity NPC272750
0.8037 Intermediate Similarity NPC223006

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC17042 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
0.8264 Intermediate Similarity NPD3764 Approved
0.8228 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8092 Intermediate Similarity NPD6190 Approved
0.7987 Intermediate Similarity NPD1465 Phase 2
0.7973 Intermediate Similarity NPD230 Phase 1
0.7866 Intermediate Similarity NPD6232 Discontinued
0.7857 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD8166 Discontinued
0.7756 Intermediate Similarity NPD1511 Approved
0.7756 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7473 Discontinued
0.7706 Intermediate Similarity NPD7685 Pre-registration
0.7677 Intermediate Similarity NPD3750 Approved
0.7658 Intermediate Similarity NPD1512 Approved
0.7654 Intermediate Similarity NPD2801 Approved
0.7633 Intermediate Similarity NPD5844 Phase 1
0.7625 Intermediate Similarity NPD3226 Approved
0.7613 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD9269 Phase 2
0.7564 Intermediate Similarity NPD4628 Phase 3
0.756 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD6166 Phase 2
0.7529 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3817 Phase 2
0.7484 Intermediate Similarity NPD7266 Discontinued
0.7484 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD9545 Approved
0.7471 Intermediate Similarity NPD3818 Discontinued
0.7457 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD7819 Suspended
0.7436 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD943 Approved
0.7427 Intermediate Similarity NPD7054 Approved
0.7419 Intermediate Similarity NPD5406 Approved
0.7419 Intermediate Similarity NPD5405 Approved
0.7419 Intermediate Similarity NPD5408 Approved
0.7419 Intermediate Similarity NPD5404 Approved
0.741 Intermediate Similarity NPD3749 Approved
0.7384 Intermediate Similarity NPD7472 Approved
0.7378 Intermediate Similarity NPD1934 Approved
0.7365 Intermediate Similarity NPD6234 Discontinued
0.7362 Intermediate Similarity NPD4380 Phase 2
0.7355 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD3748 Approved
0.7353 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD3882 Suspended
0.7342 Intermediate Similarity NPD7003 Approved
0.7341 Intermediate Similarity NPD6797 Phase 2
0.7333 Intermediate Similarity NPD9494 Approved
0.7317 Intermediate Similarity NPD7411 Suspended
0.7314 Intermediate Similarity NPD8312 Approved
0.7314 Intermediate Similarity NPD8313 Approved
0.731 Intermediate Similarity NPD9268 Approved
0.7299 Intermediate Similarity NPD7251 Discontinued
0.7289 Intermediate Similarity NPD5402 Approved
0.7288 Intermediate Similarity NPD8150 Discontinued
0.7283 Intermediate Similarity NPD7074 Phase 3
0.7267 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD7228 Approved
0.7257 Intermediate Similarity NPD7808 Phase 3
0.723 Intermediate Similarity NPD1608 Approved
0.7222 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD6385 Approved
0.7212 Intermediate Similarity NPD6386 Approved
0.7205 Intermediate Similarity NPD7390 Discontinued
0.7202 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD1470 Approved
0.7197 Intermediate Similarity NPD2935 Discontinued
0.7195 Intermediate Similarity NPD3455 Phase 2
0.7186 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7199 Phase 2
0.7176 Intermediate Similarity NPD6959 Discontinued
0.7169 Intermediate Similarity NPD37 Approved
0.7152 Intermediate Similarity NPD2346 Discontinued
0.7143 Intermediate Similarity NPD4967 Phase 2
0.7143 Intermediate Similarity NPD7768 Phase 2
0.7143 Intermediate Similarity NPD4966 Approved
0.7143 Intermediate Similarity NPD4965 Approved
0.7134 Intermediate Similarity NPD1510 Phase 2
0.7133 Intermediate Similarity NPD3225 Approved
0.7117 Intermediate Similarity NPD6273 Approved
0.7101 Intermediate Similarity NPD7075 Discontinued
0.7093 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD7458 Discontinued
0.7091 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD2313 Discontinued
0.7076 Intermediate Similarity NPD8127 Discontinued
0.7073 Intermediate Similarity NPD5403 Approved
0.7071 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD2532 Approved
0.7055 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD2534 Approved
0.7055 Intermediate Similarity NPD2533 Approved
0.7055 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD447 Suspended
0.7047 Intermediate Similarity NPD1201 Approved
0.7027 Intermediate Similarity NPD17 Approved
0.7025 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD2799 Discontinued
0.7024 Intermediate Similarity NPD8455 Phase 2
0.6994 Remote Similarity NPD6799 Approved
0.6971 Remote Similarity NPD3751 Discontinued
0.6971 Remote Similarity NPD7177 Discontinued
0.6968 Remote Similarity NPD3268 Approved
0.6964 Remote Similarity NPD6801 Discontinued
0.6951 Remote Similarity NPD5401 Approved
0.6937 Remote Similarity NPD2344 Approved
0.6933 Remote Similarity NPD7440 Discontinued
0.6932 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6233 Phase 2
0.6923 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6919 Remote Similarity NPD5494 Approved
0.691 Remote Similarity NPD7038 Approved
0.691 Remote Similarity NPD7039 Approved
0.6908 Remote Similarity NPD1283 Approved
0.6906 Remote Similarity NPD8434 Phase 2
0.6903 Remote Similarity NPD7095 Approved
0.6897 Remote Similarity NPD5242 Approved
0.6894 Remote Similarity NPD1549 Phase 2
0.6887 Remote Similarity NPD1481 Phase 2
0.6882 Remote Similarity NPD4288 Approved
0.6879 Remote Similarity NPD1240 Approved
0.6863 Remote Similarity NPD2797 Approved
0.6863 Remote Similarity NPD1203 Approved
0.6859 Remote Similarity NPD6798 Discontinued
0.6859 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6853 Remote Similarity NPD3021 Approved
0.6853 Remote Similarity NPD3022 Approved
0.6845 Remote Similarity NPD6599 Discontinued
0.6839 Remote Similarity NPD3787 Discontinued
0.6839 Remote Similarity NPD8151 Discontinued
0.6839 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6832 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6832 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6826 Remote Similarity NPD1653 Approved
0.6821 Remote Similarity NPD1535 Discovery
0.6818 Remote Similarity NPD2798 Approved
0.6816 Remote Similarity NPD7240 Approved
0.6813 Remote Similarity NPD4308 Phase 3
0.6795 Remote Similarity NPD3027 Phase 3
0.6795 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6792 Remote Similarity NPD1607 Approved
0.6776 Remote Similarity NPD3972 Approved
0.6774 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6772 Remote Similarity NPD2979 Phase 3
0.6772 Remote Similarity NPD4060 Phase 1
0.677 Remote Similarity NPD1551 Phase 2
0.677 Remote Similarity NPD2796 Approved
0.6768 Remote Similarity NPD2309 Approved
0.6768 Remote Similarity NPD2354 Approved
0.6757 Remote Similarity NPD405 Clinical (unspecified phase)
0.6754 Remote Similarity NPD7435 Discontinued
0.6743 Remote Similarity NPD7229 Phase 3
0.6728 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6727 Remote Similarity NPD3300 Phase 2
0.6722 Remote Similarity NPD6559 Discontinued
0.6719 Remote Similarity NPD8320 Phase 1
0.6719 Remote Similarity NPD8319 Approved
0.6711 Remote Similarity NPD5536 Phase 2
0.6711 Remote Similarity NPD1281 Approved
0.6709 Remote Similarity NPD8032 Phase 2
0.6709 Remote Similarity NPD6663 Approved
0.6707 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6707 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6705 Remote Similarity NPD3926 Phase 2
0.6689 Remote Similarity NPD3019 Approved
0.6688 Remote Similarity NPD7008 Discontinued
0.6688 Remote Similarity NPD1876 Approved
0.6686 Remote Similarity NPD5353 Approved
0.6684 Remote Similarity NPD6781 Approved
0.6684 Remote Similarity NPD6780 Approved
0.6684 Remote Similarity NPD7783 Phase 2
0.6684 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6684 Remote Similarity NPD6776 Approved
0.6684 Remote Similarity NPD6535 Approved
0.6684 Remote Similarity NPD6777 Approved
0.6684 Remote Similarity NPD6778 Approved
0.6684 Remote Similarity NPD6779 Approved
0.6684 Remote Similarity NPD6534 Approved
0.6684 Remote Similarity NPD6782 Approved
0.6667 Remote Similarity NPD1613 Approved
0.6667 Remote Similarity NPD7680 Approved
0.6667 Remote Similarity NPD5736 Approved
0.6667 Remote Similarity NPD2438 Suspended
0.6667 Remote Similarity NPD2182 Approved
0.6667 Remote Similarity NPD7699 Phase 2
0.6667 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7700 Phase 2
0.6647 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6645 Remote Similarity NPD3267 Approved
0.6645 Remote Similarity NPD1164 Approved
0.6645 Remote Similarity NPD3266 Approved
0.6644 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6644 Remote Similarity NPD9493 Approved
0.6633 Remote Similarity NPD7874 Approved

Structure

External Identifiers

PubChem CID   54689623
ChEMBL   CHEMBL221760
ZINC  

Physicochemical Properties

Molecular Weight:  624.09
ALogP:  -2.523
MLogP:  3.66
XLogP:  3.391
# Rotatable Bonds:  12
Polar Surface Area:  220.51
# H-Bond Aceptor:  7
# H-Bond Donor:  7
# Rings:  6
# Heavy Atoms:  46

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