Natural Product: NPC477816

Natural Product ID:  NPC477816
Common Name:   Irciniastatin
IUPAC Name:   (2S,3S)-N-[(S)-[(4R,6R)-6-[(2S,3R)-3-[(3S)-6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl]-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide
Synonyms:  
Molecular Formula:   C31H47NO11
Standard InCHIKey:  BNNIEBYABSNREN-FKNVEFDBSA-N
Standard InCHI:  InChI=1S/C31H47NO11/c1-14(2)9-22(40-7)27(37)28(38)32-29(41-8)23-13-24(36)31(5,6)25(42-23)12-19(34)16(4)21-10-17-15(3)18(33)11-20(35)26(17)30(39)43-21/h11,16,19,21-25,27,29,33-37H,1,9-10,12-13H2,2-8H3,(H,32,38)/t16-,19+,21+,22+,23?,24-,25-,27+,29+/m1/s1
Canonical SMILES:  CO[C@@H](C1C[C@@H](O)C([C@H](O1)C[C@@H]([C@H]([C@H]1OC(=O)c2c(C1)c(C)c(cc2O)O)C)O)(C)C)N=C([C@H]([C@H](CC(=C)C)OC)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
NPO33636 Psammocinia aff. Bulbosa Species Irciniidae Eukaryota PMID[17559267]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens Survival = 90 % 17559267
NPT393 Cell Line HCT-116 Homo sapiens Activity = 75 % 17559267
NPT393 Cell Line HCT-116 Homo sapiens Activity = 86 % 17559267
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 0.0002 ug/ml 17559267
NPT83 Cell Line MCF7 Homo sapiens IC50 = 200 ug/ml 17559267
NPT139 Cell Line HT-29 Homo sapiens IC50 = 0.005 ug/ml 17559267
NPT2 Others Unspecified IC50 = 0.00012 ug/ml 17559267
NPT137 Cell Line L1210 Mus musculus IC50 = 0.00018 ug/ml 17559267
NPT393 Cell Line HCT-116 Homo sapiens Activity = 90 % 19209899
NPT306 Cell Line PC-3 Homo sapiens IC50 = 1 nM 19209899
NPT400 Cell Line MDA-MB-435 Homo sapiens LC50 < 2.5 nM 19209899
NPT83 Cell Line MCF7 Homo sapiens GI50 = 5.2 nM 19209899

  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 NPC477816 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
0.8415 Intermediate Similarity NPC473023
0.8221 Intermediate Similarity NPC472604
0.8221 Intermediate Similarity NPC53649
0.8221 Intermediate Similarity NPC472605
0.8166 Intermediate Similarity NPC70016
0.8166 Intermediate Similarity NPC215921
0.816 Intermediate Similarity NPC472600
0.816 Intermediate Similarity NPC472601
0.816 Intermediate Similarity NPC64664
0.814 Intermediate Similarity NPC257309
0.8125 Intermediate Similarity NPC472621
0.8121 Intermediate Similarity NPC471731
0.8121 Intermediate Similarity NPC159721
0.811 Intermediate Similarity NPC472603
0.8098 Intermediate Similarity NPC88269
0.8079 Intermediate Similarity NPC472622
0.8072 Intermediate Similarity NPC42540
0.8072 Intermediate Similarity NPC151607
0.8061 Intermediate Similarity NPC471733
0.8061 Intermediate Similarity NPC82913
0.8056 Intermediate Similarity NPC294149
0.8049 Intermediate Similarity NPC158472
0.8047 Intermediate Similarity NPC237440
0.8047 Intermediate Similarity NPC270160
0.8046 Intermediate Similarity NPC472055
0.8037 Intermediate Similarity NPC472602
0.8037 Intermediate Similarity NPC94248
0.8037 Intermediate Similarity NPC212693
0.8036 Intermediate Similarity NPC53362
0.8036 Intermediate Similarity NPC166583
0.8036 Intermediate Similarity NPC81835
0.8024 Intermediate Similarity NPC83272
0.8023 Intermediate Similarity NPC69043
0.8023 Intermediate Similarity NPC478230
0.8012 Intermediate Similarity NPC472610
0.8012 Intermediate Similarity NPC167903
0.8 Intermediate Similarity NPC69868
0.8 Intermediate Similarity NPC309692
0.7989 Intermediate Similarity NPC470339
0.7988 Intermediate Similarity NPC221352
0.7975 Intermediate Similarity NPC70380
0.7975 Intermediate Similarity NPC194579
0.7965 Intermediate Similarity NPC137301
0.7965 Intermediate Similarity NPC478231
0.7953 Intermediate Similarity NPC200773
0.7953 Intermediate Similarity NPC240768
0.7952 Intermediate Similarity NPC322112
0.7947 Intermediate Similarity NPC476662
0.7944 Intermediate Similarity NPC472620
0.7933 Intermediate Similarity NPC472619
0.7931 Intermediate Similarity NPC472889
0.7929 Intermediate Similarity NPC471734
0.7927 Intermediate Similarity NPC191835
0.7926 Intermediate Similarity NPC204580
0.7919 Intermediate Similarity NPC208173
0.7919 Intermediate Similarity NPC472890
0.7919 Intermediate Similarity NPC16082
0.7919 Intermediate Similarity NPC82592
0.7919 Intermediate Similarity NPC170189
0.7919 Intermediate Similarity NPC478221
0.7914 Intermediate Similarity NPC235115
0.7907 Intermediate Similarity NPC478224
0.7907 Intermediate Similarity NPC76041
0.7907 Intermediate Similarity NPC115249
0.7907 Intermediate Similarity NPC184284
0.7904 Intermediate Similarity NPC469542
0.7904 Intermediate Similarity NPC51106
0.7895 Intermediate Similarity NPC469619
0.7895 Intermediate Similarity NPC56204
0.7895 Intermediate Similarity NPC179178
0.7895 Intermediate Similarity NPC469670
0.7895 Intermediate Similarity NPC476661
0.7892 Intermediate Similarity NPC158634
0.7884 Intermediate Similarity NPC83019
0.7879 Intermediate Similarity NPC32360
0.7879 Intermediate Similarity NPC139634
0.7879 Intermediate Similarity NPC105456
0.7879 Intermediate Similarity NPC247409
0.7877 Intermediate Similarity NPC129578
0.7877 Intermediate Similarity NPC249977
0.787 Intermediate Similarity NPC260946
0.787 Intermediate Similarity NPC471735
0.787 Intermediate Similarity NPC268366
0.7866 Intermediate Similarity NPC71256
0.7865 Intermediate Similarity NPC7752
0.7865 Intermediate Similarity NPC211592
0.7861 Intermediate Similarity NPC472799
0.7861 Intermediate Similarity NPC471695
0.7861 Intermediate Similarity NPC470102
0.7861 Intermediate Similarity NPC281477
0.7857 Intermediate Similarity NPC63105
0.7857 Intermediate Similarity NPC277426
0.7857 Intermediate Similarity NPC86373
0.7857 Intermediate Similarity NPC280404
0.7857 Intermediate Similarity NPC210425
0.7844 Intermediate Similarity NPC469579
0.7842 Intermediate Similarity NPC313453
0.7836 Intermediate Similarity NPC307052
0.7836 Intermediate Similarity NPC139966
0.7831 Intermediate Similarity NPC155205
0.7829 Intermediate Similarity NPC478226
0.7829 Intermediate Similarity NPC84935
0.7829 Intermediate Similarity NPC246466
0.7829 Intermediate Similarity NPC77679
0.7829 Intermediate Similarity NPC478225
0.7829 Intermediate Similarity NPC190020
0.7824 Intermediate Similarity NPC476463
0.7818 Intermediate Similarity NPC478200
0.7818 Intermediate Similarity NPC197666
0.7818 Intermediate Similarity NPC33144
0.7818 Intermediate Similarity NPC126739
0.7814 Intermediate Similarity NPC324220
0.7814 Intermediate Similarity NPC312630
0.7805 Intermediate Similarity NPC291454
0.7803 Intermediate Similarity NPC256141
0.7798 Intermediate Similarity NPC478202
0.7796 Intermediate Similarity NPC469437
0.7791 Intermediate Similarity NPC472891
0.779 Intermediate Similarity NPC221792
0.779 Intermediate Similarity NPC298778
0.7784 Intermediate Similarity NPC1704
0.7784 Intermediate Similarity NPC313123
0.7784 Intermediate Similarity NPC478217
0.7784 Intermediate Similarity NPC130485
0.7784 Intermediate Similarity NPC244923
0.7784 Intermediate Similarity NPC67650
0.7778 Intermediate Similarity NPC10097
0.7771 Intermediate Similarity NPC478027
0.7771 Intermediate Similarity NPC268052
0.7771 Intermediate Similarity NPC227062
0.7771 Intermediate Similarity NPC472050
0.7771 Intermediate Similarity NPC471787
0.7771 Intermediate Similarity NPC275356
0.7771 Intermediate Similarity NPC150227
0.776 Intermediate Similarity NPC474345
0.7759 Intermediate Similarity NPC43872
0.7759 Intermediate Similarity NPC192189
0.7759 Intermediate Similarity NPC238672
0.7759 Intermediate Similarity NPC116850
0.7759 Intermediate Similarity NPC197188
0.7759 Intermediate Similarity NPC144801
0.7759 Intermediate Similarity NPC291510
0.7753 Intermediate Similarity NPC211107
0.7753 Intermediate Similarity NPC473022
0.7753 Intermediate Similarity NPC315772
0.7749 Intermediate Similarity NPC42286
0.7746 Intermediate Similarity NPC227485
0.7746 Intermediate Similarity NPC470675
0.7746 Intermediate Similarity NPC228662
0.7746 Intermediate Similarity NPC473131
0.7744 Intermediate Similarity NPC142027
0.774 Intermediate Similarity NPC321399
0.774 Intermediate Similarity NPC470358
0.774 Intermediate Similarity NPC24627
0.7738 Intermediate Similarity NPC474385
0.7735 Intermediate Similarity NPC315406
0.7735 Intermediate Similarity NPC292213
0.7735 Intermediate Similarity NPC117713
0.7733 Intermediate Similarity NPC89442
0.7733 Intermediate Similarity NPC476684
0.7732 Intermediate Similarity NPC314941
0.773 Intermediate Similarity NPC84494
0.773 Intermediate Similarity NPC153783
0.773 Intermediate Similarity NPC245059
0.7722 Intermediate Similarity NPC125465
0.7722 Intermediate Similarity NPC13481
0.7722 Intermediate Similarity NPC472452
0.7722 Intermediate Similarity NPC207575
0.7722 Intermediate Similarity NPC165460
0.7722 Intermediate Similarity NPC178851
0.7719 Intermediate Similarity NPC473133
0.7719 Intermediate Similarity NPC47388
0.7719 Intermediate Similarity NPC91902
0.7719 Intermediate Similarity NPC210320
0.7719 Intermediate Similarity NPC470670
0.7714 Intermediate Similarity NPC199926
0.7714 Intermediate Similarity NPC317585
0.7714 Intermediate Similarity NPC82190
0.7714 Intermediate Similarity NPC68727
0.7714 Intermediate Similarity NPC192219
0.7714 Intermediate Similarity NPC99381
0.7714 Intermediate Similarity NPC174599
0.7711 Intermediate Similarity NPC221104
0.7711 Intermediate Similarity NPC475974
0.7709 Intermediate Similarity NPC474240
0.7706 Intermediate Similarity NPC473692
0.7706 Intermediate Similarity NPC257558
0.7705 Intermediate Similarity NPC472054
0.7705 Intermediate Similarity NPC213052
0.7701 Intermediate Similarity NPC470340
0.7701 Intermediate Similarity NPC470337
0.7701 Intermediate Similarity NPC268992
0.7701 Intermediate Similarity NPC51824
0.7701 Intermediate Similarity NPC273483
0.7701 Intermediate Similarity NPC470338
0.7701 Intermediate Similarity NPC113608
0.7697 Intermediate Similarity NPC472599
0.7697 Intermediate Similarity NPC158481
0.7697 Intermediate Similarity NPC117985
0.7697 Intermediate Similarity NPC50455

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477816 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
0.7938 Intermediate Similarity NPD8151 Discontinued
0.7853 Intermediate Similarity NPD5710 Approved
0.7853 Intermediate Similarity NPD5711 Approved
0.7784 Intermediate Similarity NPD8150 Discontinued
0.7732 Intermediate Similarity NPD8320 Phase 1
0.7732 Intermediate Similarity NPD8319 Approved
0.7657 Intermediate Similarity NPD7819 Suspended
0.7627 Intermediate Similarity NPD7075 Discontinued
0.7588 Intermediate Similarity NPD7783 Phase 2
0.7588 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7588 Intermediate Similarity NPD7801 Approved
0.7586 Intermediate Similarity NPD4380 Phase 2
0.756 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD7874 Approved
0.7538 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD7473 Discontinued
0.75 Intermediate Similarity NPD2532 Approved
0.75 Intermediate Similarity NPD2534 Approved
0.75 Intermediate Similarity NPD2533 Approved
0.7475 Intermediate Similarity NPD7930 Approved
0.7459 Intermediate Similarity NPD6232 Discontinued
0.7458 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD7700 Phase 2
0.7423 Intermediate Similarity NPD7699 Phase 2
0.7403 Intermediate Similarity NPD6959 Discontinued
0.738 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD6823 Phase 2
0.7358 Intermediate Similarity NPD6535 Approved
0.7358 Intermediate Similarity NPD6534 Approved
0.7351 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.735 Intermediate Similarity NPD7701 Phase 2
0.7347 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD7698 Approved
0.7323 Intermediate Similarity NPD7696 Phase 3
0.7323 Intermediate Similarity NPD7697 Approved
0.7318 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD7074 Phase 3
0.7303 Intermediate Similarity NPD6801 Discontinued
0.7303 Intermediate Similarity NPD1934 Approved
0.7283 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD6166 Phase 2
0.7283 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD4360 Phase 2
0.7268 Intermediate Similarity NPD4363 Phase 3
0.7259 Intermediate Similarity NPD6781 Approved
0.7259 Intermediate Similarity NPD6777 Approved
0.7259 Intermediate Similarity NPD6776 Approved
0.7259 Intermediate Similarity NPD6778 Approved
0.7259 Intermediate Similarity NPD6779 Approved
0.7259 Intermediate Similarity NPD6780 Approved
0.7259 Intermediate Similarity NPD6782 Approved
0.7258 Intermediate Similarity NPD7054 Approved
0.7258 Intermediate Similarity NPD5844 Phase 1
0.7238 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD7435 Discontinued
0.7222 Intermediate Similarity NPD5353 Approved
0.7219 Intermediate Similarity NPD7472 Approved
0.7208 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD7565 Approved
0.72 Intermediate Similarity NPD7870 Phase 2
0.72 Intermediate Similarity NPD7871 Phase 2
0.7174 Intermediate Similarity NPD7315 Approved
0.7168 Intermediate Similarity NPD3400 Discontinued
0.7165 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7411 Suspended
0.715 Intermediate Similarity NPD8360 Approved
0.715 Intermediate Similarity NPD8361 Approved
0.7143 Intermediate Similarity NPD8368 Discontinued
0.7143 Intermediate Similarity NPD6559 Discontinued
0.7143 Intermediate Similarity NPD7251 Discontinued
0.7127 Intermediate Similarity NPD3817 Phase 2
0.712 Intermediate Similarity NPD8407 Phase 2
0.7107 Intermediate Similarity NPD8485 Approved
0.7105 Intermediate Similarity NPD4954 Approved
0.7105 Intermediate Similarity NPD36 Approved
0.7105 Intermediate Similarity NPD5026 Approved
0.7105 Intermediate Similarity NPD4955 Approved
0.7105 Intermediate Similarity NPD5034 Approved
0.7105 Intermediate Similarity NPD5028 Approved
0.7105 Intermediate Similarity NPD7808 Phase 3
0.7102 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD230 Phase 1
0.7095 Intermediate Similarity NPD8366 Approved
0.7095 Intermediate Similarity NPD6599 Discontinued
0.709 Intermediate Similarity NPD6797 Phase 2
0.7089 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD8059 Phase 3
0.7074 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD1465 Phase 2
0.7069 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD8312 Approved
0.7068 Intermediate Similarity NPD8313 Approved
0.7065 Intermediate Similarity NPD6746 Phase 2
0.7065 Intermediate Similarity NPD5494 Approved
0.7062 Intermediate Similarity NPD8435 Approved
0.7059 Intermediate Similarity NPD6651 Approved
0.7053 Intermediate Similarity NPD5030 Phase 2
0.7053 Intermediate Similarity NPD6104 Discontinued
0.7047 Intermediate Similarity NPD5037 Approved
0.7047 Intermediate Similarity NPD5038 Approved
0.7045 Intermediate Similarity NPD7390 Discontinued
0.7044 Intermediate Similarity NPD7584 Approved
0.7044 Intermediate Similarity NPD6973 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6213 Phase 3
0.7041 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6212 Phase 3
0.7021 Intermediate Similarity NPD7228 Approved
0.7021 Intermediate Similarity NPD3818 Discontinued
0.7016 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD7585 Approved
0.7009 Intermediate Similarity NPD8469 Approved
0.7005 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3823 Discontinued
0.6995 Remote Similarity NPD7999 Approved
0.6995 Remote Similarity NPD5036 Approved
0.6995 Remote Similarity NPD7768 Phase 2
0.6994 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6994 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6979 Remote Similarity NPD5035 Approved
0.6978 Remote Similarity NPD2801 Approved
0.6977 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6971 Remote Similarity NPD4628 Phase 3
0.697 Remote Similarity NPD4361 Phase 2
0.697 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6963 Remote Similarity NPD8491 Approved
0.6961 Remote Similarity NPD7583 Approved
0.6957 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6954 Remote Similarity NPD1549 Phase 2
0.6952 Remote Similarity NPD5242 Approved
0.6949 Remote Similarity NPD6799 Approved
0.694 Remote Similarity NPD5402 Approved
0.6936 Remote Similarity NPD2935 Discontinued
0.6931 Remote Similarity NPD5005 Approved
0.6931 Remote Similarity NPD5006 Approved
0.6923 Remote Similarity NPD37 Approved
0.6919 Remote Similarity NPD6234 Discontinued
0.6914 Remote Similarity NPD2800 Approved
0.6912 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6912 Remote Similarity NPD8067 Phase 3
0.6905 Remote Similarity NPD8404 Phase 2
0.6902 Remote Similarity NPD4967 Phase 2
0.6902 Remote Similarity NPD4965 Approved
0.6902 Remote Similarity NPD4966 Approved
0.6885 Remote Similarity NPD7972 Discontinued
0.6879 Remote Similarity NPD1510 Phase 2
0.6872 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6866 Remote Similarity NPD8285 Discontinued
0.6856 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6854 Remote Similarity NPD1511 Approved
0.6851 Remote Similarity NPD3455 Phase 2
0.6842 Remote Similarity NPD7177 Discontinued
0.6839 Remote Similarity NPD6100 Approved
0.6839 Remote Similarity NPD6099 Approved
0.6837 Remote Similarity NPD6841 Approved
0.6837 Remote Similarity NPD6843 Phase 3
0.6837 Remote Similarity NPD6842 Approved
0.6836 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6833 Remote Similarity NPD5403 Approved
0.6825 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6818 Remote Similarity NPD2654 Approved
0.6816 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6816 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6816 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6816 Remote Similarity NPD4420 Approved
0.6814 Remote Similarity NPD7497 Discontinued
0.6811 Remote Similarity NPD3882 Suspended
0.6802 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6798 Remote Similarity NPD3300 Phase 2
0.6791 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6788 Remote Similarity NPD5031 Approved
0.6788 Remote Similarity NPD5029 Approved
0.6788 Remote Similarity NPD5027 Approved
0.6786 Remote Similarity NPD8434 Phase 2
0.678 Remote Similarity NPD3750 Approved
0.6778 Remote Similarity NPD1512 Approved
0.6776 Remote Similarity NPD6072 Discontinued
0.6776 Remote Similarity NPD7907 Approved
0.6776 Remote Similarity NPD6386 Approved
0.6776 Remote Similarity NPD6385 Approved
0.6774 Remote Similarity NPD3749 Approved
0.6766 Remote Similarity NPD7282 Approved
0.6761 Remote Similarity NPD4111 Phase 1
0.6761 Remote Similarity NPD4665 Approved
0.6758 Remote Similarity NPD3226 Approved
0.6755 Remote Similarity NPD7199 Phase 2
0.6744 Remote Similarity NPD1240 Approved
0.6743 Remote Similarity NPD5405 Approved
0.6743 Remote Similarity NPD5408 Approved
0.6743 Remote Similarity NPD5404 Approved
0.6743 Remote Similarity NPD5406 Approved
0.6743 Remote Similarity NPD2796 Approved
0.6742 Remote Similarity NPD6190 Approved
0.6734 Remote Similarity NPD5968 Phase 3
0.6722 Remote Similarity NPD7004 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44424682
ChEMBL   CHEMBL374598
ZINC  

Physicochemical Properties

Molecular Weight:  609.31
ALogP:  -1.222
MLogP:  3.55
XLogP:  1.646
# Rotatable Bonds:  25
Polar Surface Area:  187.73
# H-Bond Aceptor:  10
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  43

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