Natural Product: NPC8493

Natural Product ID:  NPC8493
Common Name:   Cambogin
IUPAC Name:  
Synonyms:   Cambogin; Isogarcinol
Molecular Formula:   C38H50O6
Standard InCHIKey:  KXTNVBQRLRYVCO-LPSZMIQCSA-N
Standard InCHI:  InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37+,38+/m1/s1
Canonical SMILES:  CC(=CC[C@]12C(=O)C(=C3[C@@](C1=O)(C[C@@H](C(O3)(C)C)CC=C(C)C)C[C@H](C2(C)C)CC=C(C)C)C(=O)c1ccc(c(c1)O)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
NPO33514 garcinia assigu Species Clusiaceae Eukaryota PMID[12608850]
NPO25472 Garcinia cowa Species Clusiaceae Eukaryota Twigs PMID[20058933]
NPO15264 Garcinia paucinervis Species Clusiaceae Eukaryota PMID[20594858]
NPO32711 garcinia esculenta Species Clusiaceae Eukaryota Twigs PMID[24960143]
NPO5259 Garcinia buchananii Species Clusiaceae Eukaryota Stem barks PMID[25625705]
NPO21424 Garcinia xanthochymus Species Clusiaceae Eukaryota HerDing*
NPO21424 Garcinia xanthochymus Species Clusiaceae Eukaryota TCMID*
NPO22337 Garcinia dulcis Species Clusiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1079 Individual Protein Histone acetyltransferase p300 Homo sapiens Kd = 1100 nM 19086895
NPT1079 Individual Protein Histone acetyltransferase p300 Homo sapiens Activity = 75 % 19086895
NPT1079 Individual Protein Histone acetyltransferase p300 Homo sapiens Kd = 5900 nM 19086895
NPT1079 Individual Protein Histone acetyltransferase p300 Homo sapiens Ki = 3900 nM 19086895
NPT1080 Individual Protein Histone acetyltransferase PCAF Homo sapiens Activity = 50 % 19086895
NPT2 Others Unspecified Activity = 17.7 % 12608850
NPT2 Others Unspecified Activity = 56 % 12608850
NPT2 Others Unspecified Activity = 87.1 % 12608850
NPT2 Others Unspecified Activity = 100 % 12608850
NPT80 Cell Line Raji Homo sapiens Activity = 60 % 12608850
NPT80 Cell Line Raji Homo sapiens Activity > 80 % 12608850
NPT1 Others Radical scavenging activity IC50 = 13300 nM 12608850
NPT65 Cell Line HepG2 Homo sapiens IC50 = 7300 nM 24960143
NPT83 Cell Line MCF7 Homo sapiens IC50 = 4800 nM 24960143
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 5700 nM 24960143
NPT2 Others Unspecified IC50 = 9300 nM 24960143
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 19200 nM 24960143
NPT2 Others Unspecified EC50 = 83300 nM 25625705
NPT2 Others Unspecified Activity = 1.67 mmolequiv/mmol 25625705
NPT2 Others Unspecified Activity = 0.48 mmolequiv/mmol 25625705
NPT2 Others Unspecified Activity = 3.68 mmolequiv/mmol 25625705
NPT2 Others Unspecified Activity = 0.6 mmolequiv/mmol 25625705

  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 NPC8493 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 NPC469375
1.0 High Similarity NPC144247
1.0 High Similarity NPC294679
1.0 High Similarity NPC145301
0.9635 High Similarity NPC294330
0.9577 High Similarity NPC46549
0.9577 High Similarity NPC264229
0.9562 High Similarity NPC477849
0.9562 High Similarity NPC42384
0.9562 High Similarity NPC23667
0.9562 High Similarity NPC46242
0.9562 High Similarity NPC165191
0.9562 High Similarity NPC149773
0.9562 High Similarity NPC157284
0.9562 High Similarity NPC297797
0.9562 High Similarity NPC51531
0.9562 High Similarity NPC28592
0.9562 High Similarity NPC289358
0.9562 High Similarity NPC114333
0.9562 High Similarity NPC5014
0.9562 High Similarity NPC50615
0.9562 High Similarity NPC473779
0.9562 High Similarity NPC245760
0.9562 High Similarity NPC469857
0.9562 High Similarity NPC473479
0.9562 High Similarity NPC91887
0.9441 High Similarity NPC132810
0.9424 High Similarity NPC473527
0.9416 High Similarity NPC7464
0.9384 High Similarity NPC305710
0.9301 High Similarity NPC471970
0.9301 High Similarity NPC273798
0.9296 High Similarity NPC469854
0.9296 High Similarity NPC469856
0.9291 High Similarity NPC469855
0.9291 High Similarity NPC30846
0.9291 High Similarity NPC471971
0.9291 High Similarity NPC471972
0.9281 High Similarity NPC469680
0.9281 High Similarity NPC469681
0.9281 High Similarity NPC471974
0.911 High Similarity NPC237441
0.9071 High Similarity NPC118366
0.9 High Similarity NPC471968
0.8905 High Similarity NPC25736
0.8667 High Similarity NPC48949
0.8542 High Similarity NPC277559
0.8521 High Similarity NPC474715
0.8521 High Similarity NPC4170
0.8521 High Similarity NPC138472
0.8493 Intermediate Similarity NPC470035
0.8456 Intermediate Similarity NPC470038
0.8414 Intermediate Similarity NPC49911
0.8414 Intermediate Similarity NPC471152
0.8403 Intermediate Similarity NPC43353
0.8392 Intermediate Similarity NPC111845
0.8378 Intermediate Similarity NPC184935
0.8375 Intermediate Similarity NPC478059
0.8375 Intermediate Similarity NPC478060
0.8375 Intermediate Similarity NPC470377
0.8375 Intermediate Similarity NPC471975
0.8375 Intermediate Similarity NPC470374
0.8356 Intermediate Similarity NPC230811
0.8322 Intermediate Similarity NPC199936
0.831 Intermediate Similarity NPC117609
0.8298 Intermediate Similarity NPC234175
0.8276 Intermediate Similarity NPC153088
0.8264 Intermediate Similarity NPC294226
0.8255 Intermediate Similarity NPC141817
0.8255 Intermediate Similarity NPC176030
0.8255 Intermediate Similarity NPC192597
0.8255 Intermediate Similarity NPC229218
0.8255 Intermediate Similarity NPC169214
0.8224 Intermediate Similarity NPC10842
0.8224 Intermediate Similarity NPC52692
0.8212 Intermediate Similarity NPC258856
0.82 Intermediate Similarity NPC209085
0.82 Intermediate Similarity NPC224884
0.8182 Intermediate Similarity NPC470037
0.8171 Intermediate Similarity NPC471969
0.8163 Intermediate Similarity NPC264022
0.8151 Intermediate Similarity NPC258502
0.8133 Intermediate Similarity NPC469447
0.8133 Intermediate Similarity NPC477873
0.8129 Intermediate Similarity NPC144283
0.8121 Intermediate Similarity NPC476534
0.8121 Intermediate Similarity NPC471853
0.8112 Intermediate Similarity NPC470747
0.8108 Intermediate Similarity NPC416
0.8108 Intermediate Similarity NPC61398
0.8099 Intermediate Similarity NPC72667
0.8095 Intermediate Similarity NPC474311
0.8092 Intermediate Similarity NPC75295
0.8067 Intermediate Similarity NPC472904
0.8067 Intermediate Similarity NPC472410
0.8063 Intermediate Similarity NPC472906
0.8056 Intermediate Similarity NPC108129
0.8054 Intermediate Similarity NPC472903
0.8028 Intermediate Similarity NPC254492
0.8028 Intermediate Similarity NPC15837
0.8027 Intermediate Similarity NPC80035
0.8027 Intermediate Similarity NPC72918
0.8026 Intermediate Similarity NPC196941
0.8026 Intermediate Similarity NPC53520
0.8026 Intermediate Similarity NPC309169
0.8014 Intermediate Similarity NPC53896
0.8014 Intermediate Similarity NPC327410
0.8013 Intermediate Similarity NPC248068
0.8013 Intermediate Similarity NPC291078
0.8 Intermediate Similarity NPC474310
0.8 Intermediate Similarity NPC139171
0.7987 Intermediate Similarity NPC476821
0.7987 Intermediate Similarity NPC13715
0.7986 Intermediate Similarity NPC171460
0.7974 Intermediate Similarity NPC160777
0.7974 Intermediate Similarity NPC73416
0.7973 Intermediate Similarity NPC470733
0.7973 Intermediate Similarity NPC193358
0.7972 Intermediate Similarity NPC78364
0.7972 Intermediate Similarity NPC69424
0.7972 Intermediate Similarity NPC324209
0.7972 Intermediate Similarity NPC176130
0.7972 Intermediate Similarity NPC316553
0.7972 Intermediate Similarity NPC84672
0.7961 Intermediate Similarity NPC239608
0.7961 Intermediate Similarity NPC46161
0.7959 Intermediate Similarity NPC202225
0.7959 Intermediate Similarity NPC50924
0.7956 Intermediate Similarity NPC150919
0.7956 Intermediate Similarity NPC268930
0.795 Intermediate Similarity NPC234644
0.7947 Intermediate Similarity NPC84273
0.7939 Intermediate Similarity NPC472803
0.7937 Intermediate Similarity NPC197856
0.7922 Intermediate Similarity NPC143685
0.7919 Intermediate Similarity NPC475957
0.7919 Intermediate Similarity NPC147418
0.7919 Intermediate Similarity NPC290030
0.7917 Intermediate Similarity NPC96024
0.7908 Intermediate Similarity NPC79627
0.7901 Intermediate Similarity NPC206605
0.7898 Intermediate Similarity NPC221249
0.7898 Intermediate Similarity NPC35
0.7898 Intermediate Similarity NPC124842
0.7895 Intermediate Similarity NPC11314
0.7891 Intermediate Similarity NPC477139
0.7891 Intermediate Similarity NPC171968
0.7888 Intermediate Similarity NPC185617
0.7888 Intermediate Similarity NPC476280
0.7888 Intermediate Similarity NPC188433
0.7887 Intermediate Similarity NPC199273
0.7887 Intermediate Similarity NPC15127
0.7881 Intermediate Similarity NPC203063
0.7881 Intermediate Similarity NPC290664
0.7877 Intermediate Similarity NPC18798
0.7877 Intermediate Similarity NPC244699
0.7875 Intermediate Similarity NPC304008
0.7875 Intermediate Similarity NPC187745
0.7875 Intermediate Similarity NPC161960
0.7872 Intermediate Similarity NPC91478
0.7867 Intermediate Similarity NPC87723
0.7867 Intermediate Similarity NPC475757
0.7867 Intermediate Similarity NPC474640
0.7866 Intermediate Similarity NPC476056
0.7866 Intermediate Similarity NPC263212
0.7862 Intermediate Similarity NPC303910
0.7862 Intermediate Similarity NPC472807
0.7862 Intermediate Similarity NPC117899
0.7862 Intermediate Similarity NPC276238
0.7857 Intermediate Similarity NPC66894
0.7857 Intermediate Similarity NPC236520
0.7857 Intermediate Similarity NPC225351
0.7857 Intermediate Similarity NPC294361
0.7857 Intermediate Similarity NPC8102
0.7853 Intermediate Similarity NPC100420
0.7853 Intermediate Similarity NPC12461
0.7852 Intermediate Similarity NPC65005
0.7852 Intermediate Similarity NPC264112
0.7852 Intermediate Similarity NPC194764
0.7848 Intermediate Similarity NPC164912
0.7847 Intermediate Similarity NPC471530
0.7843 Intermediate Similarity NPC25491
0.784 Intermediate Similarity NPC57715
0.784 Intermediate Similarity NPC472275
0.784 Intermediate Similarity NPC266365
0.7834 Intermediate Similarity NPC295977
0.7834 Intermediate Similarity NPC58310
0.7834 Intermediate Similarity NPC475311
0.7834 Intermediate Similarity NPC473579
0.7834 Intermediate Similarity NPC118033
0.7834 Intermediate Similarity NPC473680
0.7834 Intermediate Similarity NPC475454
0.7832 Intermediate Similarity NPC328997
0.7832 Intermediate Similarity NPC294050
0.7829 Intermediate Similarity NPC91546
0.7826 Intermediate Similarity NPC46736
0.7826 Intermediate Similarity NPC235448
0.7826 Intermediate Similarity NPC185258
0.7826 Intermediate Similarity NPC172770
0.7821 Intermediate Similarity NPC94781

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC8493 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
0.8311 Intermediate Similarity NPD8166 Discontinued
0.7703 Intermediate Similarity NPD943 Approved
0.766 Intermediate Similarity NPD2932 Approved
0.7535 Intermediate Similarity NPD3019 Approved
0.7516 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3300 Phase 2
0.7469 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD1470 Approved
0.7386 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD1201 Approved
0.7301 Intermediate Similarity NPD1934 Approved
0.726 Intermediate Similarity NPD3972 Approved
0.7257 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD2801 Approved
0.7254 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD9494 Approved
0.7246 Intermediate Similarity NPD3022 Approved
0.7246 Intermediate Similarity NPD3021 Approved
0.7235 Intermediate Similarity NPD7473 Discontinued
0.7233 Intermediate Similarity NPD1511 Approved
0.7232 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7458 Discontinued
0.7222 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD2344 Approved
0.7179 Intermediate Similarity NPD2346 Discontinued
0.7178 Intermediate Similarity NPD7028 Phase 2
0.7171 Intermediate Similarity NPD6663 Approved
0.7169 Intermediate Similarity NPD3882 Suspended
0.7161 Intermediate Similarity NPD2799 Discontinued
0.7152 Intermediate Similarity NPD7819 Suspended
0.7152 Intermediate Similarity NPD4628 Phase 3
0.7143 Intermediate Similarity NPD1512 Approved
0.7133 Intermediate Similarity NPD5736 Approved
0.7125 Intermediate Similarity NPD7390 Discontinued
0.7123 Intermediate Similarity NPD3026 Approved
0.7123 Intermediate Similarity NPD3023 Approved
0.7119 Intermediate Similarity NPD8434 Phase 2
0.7119 Intermediate Similarity NPD8150 Discontinued
0.7117 Intermediate Similarity NPD3226 Approved
0.7115 Intermediate Similarity NPD5406 Approved
0.7115 Intermediate Similarity NPD5405 Approved
0.7115 Intermediate Similarity NPD6100 Approved
0.7115 Intermediate Similarity NPD6099 Approved
0.7115 Intermediate Similarity NPD5404 Approved
0.7115 Intermediate Similarity NPD5408 Approved
0.7105 Intermediate Similarity NPD3764 Approved
0.7103 Intermediate Similarity NPD3025 Approved
0.7103 Intermediate Similarity NPD3024 Approved
0.7078 Intermediate Similarity NPD230 Phase 1
0.7076 Intermediate Similarity NPD6166 Phase 2
0.7076 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD4380 Phase 2
0.707 Intermediate Similarity NPD1471 Phase 3
0.7066 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6232 Discontinued
0.7045 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD7003 Approved
0.7044 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD5494 Approved
0.7037 Intermediate Similarity NPD6273 Approved
0.7029 Intermediate Similarity NPD7685 Pre-registration
0.7027 Intermediate Similarity NPD9269 Phase 2
0.7011 Intermediate Similarity NPD7074 Phase 3
0.7006 Intermediate Similarity NPD2935 Discontinued
0.7 Intermediate Similarity NPD6190 Approved
0.7 Intermediate Similarity NPD2309 Approved
0.6981 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6975 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7054 Approved
0.6954 Remote Similarity NPD2798 Approved
0.6948 Remote Similarity NPD8032 Phase 2
0.6946 Remote Similarity NPD1465 Phase 2
0.6939 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6928 Remote Similarity NPD7411 Suspended
0.6923 Remote Similarity NPD7075 Discontinued
0.6914 Remote Similarity NPD7472 Approved
0.6901 Remote Similarity NPD8127 Discontinued
0.6901 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6897 Remote Similarity NPD3818 Discontinued
0.6879 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2800 Approved
0.6871 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6868 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6857 Remote Similarity NPD5844 Phase 1
0.6852 Remote Similarity NPD7236 Approved
0.6845 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6836 Remote Similarity NPD7251 Discontinued
0.6835 Remote Similarity NPD1510 Phase 2
0.6832 Remote Similarity NPD3750 Approved
0.6824 Remote Similarity NPD3749 Approved
0.6821 Remote Similarity NPD1876 Approved
0.6818 Remote Similarity NPD7095 Approved
0.6815 Remote Similarity NPD6651 Approved
0.6815 Remote Similarity NPD1607 Approved
0.6813 Remote Similarity NPD1549 Phase 2
0.6813 Remote Similarity NPD970 Clinical (unspecified phase)
0.681 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6809 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6802 Remote Similarity NPD6959 Discontinued
0.6798 Remote Similarity NPD7808 Phase 3
0.6795 Remote Similarity NPD1240 Approved
0.6795 Remote Similarity NPD3620 Phase 2
0.6795 Remote Similarity NPD3619 Clinical (unspecified phase)
0.678 Remote Similarity NPD7993 Clinical (unspecified phase)
0.678 Remote Similarity NPD6797 Phase 2
0.6776 Remote Similarity NPD1164 Approved
0.6774 Remote Similarity NPD2313 Discontinued
0.6774 Remote Similarity NPD3268 Approved
0.6766 Remote Similarity NPD6599 Discontinued
0.676 Remote Similarity NPD8313 Approved
0.676 Remote Similarity NPD8312 Approved
0.6759 Remote Similarity NPD5951 Approved
0.6757 Remote Similarity NPD9268 Approved
0.6755 Remote Similarity NPD1755 Approved
0.6752 Remote Similarity NPD447 Suspended
0.675 Remote Similarity NPD7266 Discontinued
0.675 Remote Similarity NPD1552 Clinical (unspecified phase)
0.675 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6735 Remote Similarity NPD7610 Discontinued
0.6735 Remote Similarity NPD5536 Phase 2
0.6733 Remote Similarity NPD3092 Approved
0.6728 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6728 Remote Similarity NPD4110 Phase 3
0.6725 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6711 Remote Similarity NPD4059 Approved
0.6711 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6711 Remote Similarity NPD1283 Approved
0.6707 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6707 Remote Similarity NPD3455 Phase 2
0.6706 Remote Similarity NPD5977 Approved
0.6706 Remote Similarity NPD5978 Approved
0.6706 Remote Similarity NPD3817 Phase 2
0.6704 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6702 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6689 Remote Similarity NPD3091 Approved
0.6689 Remote Similarity NPD9545 Approved
0.6689 Remote Similarity NPD4878 Approved
0.6686 Remote Similarity NPD7577 Discontinued
0.6667 Remote Similarity NPD2532 Approved
0.6667 Remote Similarity NPD2533 Approved
0.6667 Remote Similarity NPD2534 Approved
0.6667 Remote Similarity NPD3094 Phase 2
0.6667 Remote Similarity NPD7768 Phase 2
0.6667 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6648 Remote Similarity NPD5027 Approved
0.6648 Remote Similarity NPD5029 Approved
0.6648 Remote Similarity NPD5031 Approved
0.6647 Remote Similarity NPD5761 Phase 2
0.6647 Remote Similarity NPD7239 Suspended
0.6647 Remote Similarity NPD5760 Phase 2
0.6644 Remote Similarity NPD1651 Approved
0.6627 Remote Similarity NPD6873 Phase 2
0.6624 Remote Similarity NPD7961 Discontinued
0.662 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6611 Remote Similarity NPD36 Approved
0.6611 Remote Similarity NPD5028 Approved
0.6611 Remote Similarity NPD4954 Approved
0.6611 Remote Similarity NPD4955 Approved
0.6611 Remote Similarity NPD5032 Approved
0.6611 Remote Similarity NPD5026 Approved
0.6611 Remote Similarity NPD5034 Approved
0.661 Remote Similarity NPD7228 Approved
0.6608 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6603 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6597 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6594 Remote Similarity NPD3020 Approved
0.659 Remote Similarity NPD6234 Discontinued
0.6587 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6585 Remote Similarity NPD2354 Approved
0.6585 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6584 Remote Similarity NPD2796 Approved
0.6582 Remote Similarity NPD826 Approved
0.6582 Remote Similarity NPD825 Approved
0.6579 Remote Similarity NPD1608 Approved
0.6575 Remote Similarity NPD5035 Approved
0.6566 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6556 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6556 Remote Similarity NPD5030 Phase 2
0.6534 Remote Similarity NPD3926 Phase 2
0.6531 Remote Similarity NPD2629 Approved
0.6522 Remote Similarity NPD3748 Approved
0.6522 Remote Similarity NPD4308 Phase 3
0.6517 Remote Similarity NPD3751 Discontinued
0.6516 Remote Similarity NPD257 Approved
0.6516 Remote Similarity NPD258 Approved
0.6513 Remote Similarity NPD1281 Approved
0.6513 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6512 Remote Similarity NPD2296 Approved
0.6508 Remote Similarity NPD7700 Phase 2
0.6508 Remote Similarity NPD7699 Phase 2
0.6506 Remote Similarity NPD6799 Approved
0.6491 Remote Similarity NPD6844 Discontinued
0.6491 Remote Similarity NPD6801 Discontinued
0.649 Remote Similarity NPD3095 Discontinued
0.6486 Remote Similarity NPD6836 Approved

Structure

External Identifiers

PubChem CID   11135781
ChEMBL   CHEMBL458934
ZINC  

Physicochemical Properties

Molecular Weight:  602.36
ALogP:  3.8728
MLogP:  4.98
XLogP:  8.882
# Rotatable Bonds:  20
Polar Surface Area:  100.9
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  44

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Structure MOL file  
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Biological Activities  
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