Natural Product: NPC64157

Natural Product ID:  NPC64157
Common Name:   5-Oxo-Cystofuranoquinol
IUPAC Name:   (2E,6E,10E)-1-(2,5-dihydroxy-3-methylphenyl)-3,7,11-trimethyl-12-(4-methylfuran-2-yl)dodeca-2,6,10-trien-5-one
Synonyms:   5-Oxo-Cystofuranoquinol
Molecular Formula:   C27H34O4
Standard InCHIKey:  BNCKLSYUMPIDKU-PYGWAEJBSA-N
Standard InCHI:  InChI=1S/C27H34O4/c1-18(7-6-8-19(2)13-26-14-21(4)17-31-26)11-24(28)12-20(3)9-10-23-16-25(29)15-22(5)27(23)30/h8-9,11,14-17,29-30H,6-7,10,12-13H2,1-5H3/b18-11+,19-8+,20-9+
Canonical SMILES:  C/C(=CC(=O)C/C(=C/Cc1cc(O)cc(c1O)C)/C)/CC/C=C(/Cc1occ(c1)C)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
NPO8863 Cystoseira crinita Species Sargassaceae Eukaryota PMID[12880316]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens LC50 > 10 ug/ml 18590312
NPT65 Cell Line HepG2 Homo sapiens TGI = 4 ug/ml 18590312
NPT65 Cell Line HepG2 Homo sapiens GI50 = 1.8 ug/ml 18590312
NPT83 Cell Line MCF7 Homo sapiens LC50 = 3.7 ug/ml DrugMatrix in vitro pharmacology data
NPT83 Cell Line MCF7 Homo sapiens GI50 = 1.3 ug/ml DrugMatrix in vitro pharmacology data
NPT83 Cell Line MCF7 Homo sapiens TGI = 2.1 ug/ml DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Inhibition = 74.9 % PubChem BioAssay data set
NPT1 Others Radical scavenging activity Activity = 65.4 % 24054487
NPT1 Others Radical scavenging activity Activity = 95.2 % 10.6019/CHEMBL1201861
NPT35 Others n.a. Activity = 0.08 umol/ml 8450319
NPT2 Others Unspecified Inhibition = 69.3 % 25314007
NPT1 Others Radical scavenging activity Activity = 24.9 % 23117171
NPT2 Others Unspecified Inhibition = 15.1 % 20014752
NPT2 Others Unspecified Activity = 1.06 umol/ml 17850214
NPT2 Others Unspecified Inhibition = 41.2 % DrugMatrix in vitro pharmacology data
NPT1 Others Radical scavenging activity Activity = 95.4 % 17488817
NPT1 Others Radical scavenging activity Activity = 8 % 8450319
NPT1 Others Radical scavenging activity Activity = 12.5 % 25871261
NPT2 Others Unspecified TGI = 0.6 ug/ml PubChem BioAssay data set
NPT2 Others Unspecified LC50 = 3.4 ug/ml PubChem BioAssay data set
NPT2 Others Unspecified GI50 = 0.3 ug/ml PubChem BioAssay data set
NPT2 Others Unspecified Inhibition = 25.8 % 18519713

  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 NPC64157 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 NPC278832
0.9542 High Similarity NPC265793
0.9185 High Similarity NPC130976
0.9 High Similarity NPC469642
0.8873 High Similarity NPC308799
0.8811 High Similarity NPC61284
0.8811 High Similarity NPC113428
0.8676 High Similarity NPC118253
0.8636 High Similarity NPC147896
0.8636 High Similarity NPC276962
0.8636 High Similarity NPC190086
0.8626 High Similarity NPC49441
0.8582 High Similarity NPC477211
0.8582 High Similarity NPC477212
0.8582 High Similarity NPC319422
0.8582 High Similarity NPC477214
0.8581 High Similarity NPC290927
0.8551 High Similarity NPC209858
0.8531 High Similarity NPC158871
0.8529 High Similarity NPC196621
0.8467 Intermediate Similarity NPC474246
0.8467 Intermediate Similarity NPC474143
0.8467 Intermediate Similarity NPC473982
0.8462 Intermediate Similarity NPC329493
0.8456 Intermediate Similarity NPC59654
0.8456 Intermediate Similarity NPC271832
0.844 Intermediate Similarity NPC98395
0.8433 Intermediate Similarity NPC477213
0.8421 Intermediate Similarity NPC118853
0.8406 Intermediate Similarity NPC329427
0.8406 Intermediate Similarity NPC317601
0.8358 Intermediate Similarity NPC4012
0.8357 Intermediate Similarity NPC204592
0.8333 Intermediate Similarity NPC84721
0.8333 Intermediate Similarity NPC141549
0.8321 Intermediate Similarity NPC939
0.831 Intermediate Similarity NPC62735
0.831 Intermediate Similarity NPC233707
0.8309 Intermediate Similarity NPC142087
0.8309 Intermediate Similarity NPC95034
0.8308 Intermediate Similarity NPC217180
0.8308 Intermediate Similarity NPC312525
0.8298 Intermediate Similarity NPC170604
0.8298 Intermediate Similarity NPC215109
0.8298 Intermediate Similarity NPC163029
0.8286 Intermediate Similarity NPC324117
0.8286 Intermediate Similarity NPC477210
0.8273 Intermediate Similarity NPC251549
0.8271 Intermediate Similarity NPC476165
0.8261 Intermediate Similarity NPC278787
0.8261 Intermediate Similarity NPC7569
0.8261 Intermediate Similarity NPC245395
0.8261 Intermediate Similarity NPC475880
0.8248 Intermediate Similarity NPC50583
0.8248 Intermediate Similarity NPC201419
0.8244 Intermediate Similarity NPC206007
0.8227 Intermediate Similarity NPC281513
0.8227 Intermediate Similarity NPC22222
0.8212 Intermediate Similarity NPC183874
0.8201 Intermediate Similarity NPC15083
0.82 Intermediate Similarity NPC170169
0.8194 Intermediate Similarity NPC477535
0.8194 Intermediate Similarity NPC477537
0.8188 Intermediate Similarity NPC178202
0.8175 Intermediate Similarity NPC329707
0.8169 Intermediate Similarity NPC194847
0.8169 Intermediate Similarity NPC21797
0.8162 Intermediate Similarity NPC470858
0.8158 Intermediate Similarity NPC198490
0.8154 Intermediate Similarity NPC205523
0.8148 Intermediate Similarity NPC141252
0.8148 Intermediate Similarity NPC11799
0.8146 Intermediate Similarity NPC253872
0.8146 Intermediate Similarity NPC131121
0.8146 Intermediate Similarity NPC44606
0.8133 Intermediate Similarity NPC13282
0.8133 Intermediate Similarity NPC78335
0.8133 Intermediate Similarity NPC230713
0.8129 Intermediate Similarity NPC282230
0.8129 Intermediate Similarity NPC24761
0.8129 Intermediate Similarity NPC183348
0.8125 Intermediate Similarity NPC475012
0.8125 Intermediate Similarity NPC475045
0.8125 Intermediate Similarity NPC112757
0.8112 Intermediate Similarity NPC477534
0.8105 Intermediate Similarity NPC247677
0.8105 Intermediate Similarity NPC160015
0.8092 Intermediate Similarity NPC122365
0.8088 Intermediate Similarity NPC474237
0.8085 Intermediate Similarity NPC470871
0.8082 Intermediate Similarity NPC474154
0.8071 Intermediate Similarity NPC470977
0.8071 Intermediate Similarity NPC196979
0.8071 Intermediate Similarity NPC470976
0.8069 Intermediate Similarity NPC475044
0.8069 Intermediate Similarity NPC475063
0.8067 Intermediate Similarity NPC266499
0.8067 Intermediate Similarity NPC296030
0.8067 Intermediate Similarity NPC37226
0.8067 Intermediate Similarity NPC226644
0.8067 Intermediate Similarity NPC39929
0.8067 Intermediate Similarity NPC223988
0.8058 Intermediate Similarity NPC66246
0.8058 Intermediate Similarity NPC170546
0.8056 Intermediate Similarity NPC474943
0.8056 Intermediate Similarity NPC202260
0.8056 Intermediate Similarity NPC475005
0.8054 Intermediate Similarity NPC130581
0.8054 Intermediate Similarity NPC150215
0.8054 Intermediate Similarity NPC14875
0.8054 Intermediate Similarity NPC12148
0.8054 Intermediate Similarity NPC17816
0.8052 Intermediate Similarity NPC260902
0.8052 Intermediate Similarity NPC196448
0.8052 Intermediate Similarity NPC296957
0.8045 Intermediate Similarity NPC32152
0.8043 Intermediate Similarity NPC298884
0.8042 Intermediate Similarity NPC473268
0.8041 Intermediate Similarity NPC98926
0.8039 Intermediate Similarity NPC213936
0.8039 Intermediate Similarity NPC148938
0.8039 Intermediate Similarity NPC268008
0.8039 Intermediate Similarity NPC180901
0.8039 Intermediate Similarity NPC300757
0.8039 Intermediate Similarity NPC297531
0.8029 Intermediate Similarity NPC224657
0.8028 Intermediate Similarity NPC274876
0.8026 Intermediate Similarity NPC60211
0.8026 Intermediate Similarity NPC5871
0.8026 Intermediate Similarity NPC263676
0.8014 Intermediate Similarity NPC145673
0.8014 Intermediate Similarity NPC124365
0.8013 Intermediate Similarity NPC37348
0.8013 Intermediate Similarity NPC269117
0.8 Intermediate Similarity NPC186397
0.8 Intermediate Similarity NPC28784
0.8 Intermediate Similarity NPC296144
0.8 Intermediate Similarity NPC135325
0.8 Intermediate Similarity NPC168085
0.8 Intermediate Similarity NPC201370
0.8 Intermediate Similarity NPC95526
0.8 Intermediate Similarity NPC476350
0.8 Intermediate Similarity NPC473983
0.8 Intermediate Similarity NPC477645
0.8 Intermediate Similarity NPC37135
0.8 Intermediate Similarity NPC476349
0.7987 Intermediate Similarity NPC180924
0.7987 Intermediate Similarity NPC51641
0.7987 Intermediate Similarity NPC210826
0.7987 Intermediate Similarity NPC187282
0.7987 Intermediate Similarity NPC300267
0.7987 Intermediate Similarity NPC24136
0.7987 Intermediate Similarity NPC290133
0.7986 Intermediate Similarity NPC59502
0.7985 Intermediate Similarity NPC474131
0.7985 Intermediate Similarity NPC232295
0.7975 Intermediate Similarity NPC291110
0.7975 Intermediate Similarity NPC37183
0.7974 Intermediate Similarity NPC1477
0.7974 Intermediate Similarity NPC213608
0.7974 Intermediate Similarity NPC235333
0.7974 Intermediate Similarity NPC472462
0.7973 Intermediate Similarity NPC274085
0.7973 Intermediate Similarity NPC89664
0.7973 Intermediate Similarity NPC290038
0.7972 Intermediate Similarity NPC475011
0.797 Intermediate Similarity NPC187547
0.797 Intermediate Similarity NPC21831
0.7962 Intermediate Similarity NPC193998
0.7961 Intermediate Similarity NPC106372
0.7961 Intermediate Similarity NPC116604
0.7961 Intermediate Similarity NPC58668
0.7959 Intermediate Similarity NPC27220
0.7959 Intermediate Similarity NPC171870
0.7958 Intermediate Similarity NPC106247
0.7958 Intermediate Similarity NPC477536
0.7955 Intermediate Similarity NPC79202
0.7955 Intermediate Similarity NPC59035
0.7955 Intermediate Similarity NPC69539
0.7949 Intermediate Similarity NPC220582
0.7949 Intermediate Similarity NPC304839
0.7947 Intermediate Similarity NPC317492
0.7945 Intermediate Similarity NPC37206
0.7945 Intermediate Similarity NPC137009
0.7943 Intermediate Similarity NPC279596
0.7943 Intermediate Similarity NPC324488
0.7941 Intermediate Similarity NPC46586
0.7941 Intermediate Similarity NPC204535
0.7939 Intermediate Similarity NPC474050
0.7939 Intermediate Similarity NPC473931
0.7939 Intermediate Similarity NPC474114
0.7935 Intermediate Similarity NPC96342
0.7935 Intermediate Similarity NPC44199
0.7935 Intermediate Similarity NPC269495
0.7935 Intermediate Similarity NPC246647
0.7935 Intermediate Similarity NPC164110
0.7935 Intermediate Similarity NPC212967
0.7933 Intermediate Similarity NPC252208
0.7931 Intermediate Similarity NPC475028
0.7931 Intermediate Similarity NPC476025

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC64157 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
0.844 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD2935 Discontinued
0.7931 Intermediate Similarity NPD2344 Approved
0.7872 Intermediate Similarity NPD2313 Discontinued
0.7823 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7808 Intermediate Similarity NPD2346 Discontinued
0.7794 Intermediate Similarity NPD3496 Discontinued
0.7793 Intermediate Similarity NPD2799 Discontinued
0.7744 Intermediate Similarity NPD6671 Approved
0.7718 Intermediate Similarity NPD2309 Approved
0.7683 Intermediate Similarity NPD6559 Discontinued
0.7682 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD6832 Phase 2
0.7582 Intermediate Similarity NPD920 Approved
0.7571 Intermediate Similarity NPD6696 Suspended
0.7564 Intermediate Similarity NPD6844 Discontinued
0.7562 Intermediate Similarity NPD1247 Approved
0.7554 Intermediate Similarity NPD9717 Approved
0.7518 Intermediate Similarity NPD1203 Approved
0.7516 Intermediate Similarity NPD7819 Suspended
0.75 Intermediate Similarity NPD1551 Phase 2
0.7484 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD3226 Approved
0.7468 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD447 Suspended
0.7465 Intermediate Similarity NPD2798 Approved
0.7463 Intermediate Similarity NPD1241 Discontinued
0.7451 Intermediate Similarity NPD2533 Approved
0.7451 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD2534 Approved
0.7451 Intermediate Similarity NPD2532 Approved
0.7434 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD4308 Phase 3
0.7421 Intermediate Similarity NPD3882 Suspended
0.7417 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD9494 Approved
0.7405 Intermediate Similarity NPD2801 Approved
0.74 Intermediate Similarity NPD1549 Phase 2
0.7394 Intermediate Similarity NPD2797 Approved
0.7391 Intermediate Similarity NPD5494 Approved
0.7379 Intermediate Similarity NPD3268 Approved
0.7379 Intermediate Similarity NPD411 Approved
0.7379 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD7075 Discontinued
0.7358 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD1243 Approved
0.7351 Intermediate Similarity NPD2800 Approved
0.7347 Intermediate Similarity NPD6355 Discontinued
0.7342 Intermediate Similarity NPD1934 Approved
0.7338 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6005 Phase 3
0.7333 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1471 Phase 3
0.7333 Intermediate Similarity NPD6004 Phase 3
0.7333 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6002 Phase 3
0.7333 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD919 Approved
0.7325 Intermediate Similarity NPD4380 Phase 2
0.7315 Intermediate Similarity NPD1510 Phase 2
0.7312 Intermediate Similarity NPD7768 Phase 2
0.7305 Intermediate Similarity NPD1481 Phase 2
0.7303 Intermediate Similarity NPD4628 Phase 3
0.7303 Intermediate Similarity NPD3750 Approved
0.7296 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD2861 Phase 2
0.729 Intermediate Similarity NPD6273 Approved
0.7279 Intermediate Similarity NPD4060 Phase 1
0.7279 Intermediate Similarity NPD1240 Approved
0.7278 Intermediate Similarity NPD7411 Suspended
0.7267 Intermediate Similarity NPD2796 Approved
0.7261 Intermediate Similarity NPD7458 Discontinued
0.725 Intermediate Similarity NPD5402 Approved
0.7239 Intermediate Similarity NPD6959 Discontinued
0.7234 Intermediate Similarity NPD1535 Discovery
0.7222 Intermediate Similarity NPD1019 Discontinued
0.7214 Intermediate Similarity NPD4626 Approved
0.7214 Intermediate Similarity NPD1778 Approved
0.7205 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD1876 Approved
0.7197 Intermediate Similarity NPD968 Approved
0.719 Intermediate Similarity NPD7003 Approved
0.7186 Intermediate Similarity NPD5844 Phase 1
0.7183 Intermediate Similarity NPD1608 Approved
0.7183 Intermediate Similarity NPD3972 Approved
0.7181 Intermediate Similarity NPD1607 Approved
0.7174 Intermediate Similarity NPD7340 Approved
0.7174 Intermediate Similarity NPD9493 Approved
0.7171 Intermediate Similarity NPD2424 Discontinued
0.7162 Intermediate Similarity NPD4307 Phase 2
0.7161 Intermediate Similarity NPD1511 Approved
0.7152 Intermediate Similarity NPD6100 Approved
0.7152 Intermediate Similarity NPD6099 Approved
0.7152 Intermediate Similarity NPD4476 Approved
0.7152 Intermediate Similarity NPD4477 Approved
0.7151 Intermediate Similarity NPD8434 Phase 2
0.7143 Intermediate Similarity NPD5691 Approved
0.7143 Intermediate Similarity NPD2296 Approved
0.7143 Intermediate Similarity NPD6798 Discontinued
0.7143 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1651 Approved
0.7133 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD3818 Discontinued
0.7113 Intermediate Similarity NPD1611 Approved
0.7097 Intermediate Similarity NPD7440 Discontinued
0.7095 Intermediate Similarity NPD6233 Phase 2
0.7089 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1283 Approved
0.7081 Intermediate Similarity NPD5761 Phase 2
0.7081 Intermediate Similarity NPD5760 Phase 2
0.708 Intermediate Similarity NPD1398 Phase 1
0.7078 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD9545 Approved
0.707 Intermediate Similarity NPD5049 Phase 3
0.707 Intermediate Similarity NPD1512 Approved
0.7067 Intermediate Similarity NPD6653 Approved
0.7059 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD3749 Approved
0.7051 Intermediate Similarity NPD6799 Approved
0.7047 Intermediate Similarity NPD2979 Phase 3
0.7034 Intermediate Similarity NPD1470 Approved
0.7034 Intermediate Similarity NPD3266 Approved
0.7034 Intermediate Similarity NPD3267 Approved
0.7027 Intermediate Similarity NPD3764 Approved
0.7021 Intermediate Similarity NPD5585 Approved
0.7019 Intermediate Similarity NPD6801 Discontinued
0.7019 Intermediate Similarity NPD6279 Approved
0.7019 Intermediate Similarity NPD6280 Approved
0.7014 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD4661 Approved
0.7006 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6166 Phase 2
0.7006 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD4662 Approved
0.7006 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1252 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1201 Approved
0.6982 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6977 Remote Similarity NPD8313 Approved
0.6977 Remote Similarity NPD8312 Approved
0.6975 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6974 Remote Similarity NPD3748 Approved
0.6974 Remote Similarity NPD7033 Discontinued
0.6972 Remote Similarity NPD17 Approved
0.6959 Remote Similarity NPD3658 Clinical (unspecified phase)
0.6954 Remote Similarity NPD6651 Approved
0.695 Remote Similarity NPD1894 Discontinued
0.6943 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6941 Remote Similarity NPD7074 Phase 3
0.6937 Remote Similarity NPD2649 Approved
0.6937 Remote Similarity NPD2651 Approved
0.6933 Remote Similarity NPD3817 Phase 2
0.6933 Remote Similarity NPD3142 Approved
0.6933 Remote Similarity NPD3140 Approved
0.6929 Remote Similarity NPD405 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6032 Approved
0.6923 Remote Similarity NPD7177 Discontinued
0.6923 Remote Similarity NPD2163 Approved
0.6923 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6918 Remote Similarity NPD3869 Phase 3
0.6918 Remote Similarity NPD5403 Approved
0.6918 Remote Similarity NPD3873 Phase 3
0.6913 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6913 Remote Similarity NPD7985 Registered
0.6913 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6894 Remote Similarity NPD6599 Discontinued
0.6887 Remote Similarity NPD230 Phase 1
0.6887 Remote Similarity NPD1933 Approved
0.6884 Remote Similarity NPD7843 Approved
0.6883 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6882 Remote Similarity NPD7054 Approved
0.6882 Remote Similarity NPD7286 Phase 2
0.6879 Remote Similarity NPD5536 Phase 2
0.6875 Remote Similarity NPD1281 Approved
0.6875 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6871 Remote Similarity NPD5647 Approved
0.6867 Remote Similarity NPD8032 Phase 2
0.6864 Remote Similarity NPD7473 Discontinued
0.6859 Remote Similarity NPD7976 Clinical (unspecified phase)
0.6857 Remote Similarity NPD7157 Approved
0.6855 Remote Similarity NPD6090 Discontinued
0.6849 Remote Similarity NPD3225 Approved
0.6848 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6846 Remote Similarity NPD4625 Phase 3
0.6846 Remote Similarity NPD7095 Approved
0.6846 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6845 Remote Similarity NPD3926 Phase 2
0.6842 Remote Similarity NPD7472 Approved
0.6838 Remote Similarity NPD2684 Approved
0.6824 Remote Similarity NPD2237 Approved
0.6821 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6815 Remote Similarity NPD3887 Approved

Structure

External Identifiers

PubChem CID   5373080
ChEMBL   CHEMBL461905
ZINC  

Physicochemical Properties

Molecular Weight:  422.25
ALogP:  3.5766
MLogP:  3.99
XLogP:  4.595
# Rotatable Bonds:  17
Polar Surface Area:  70.67
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  31

Download Data

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