Natural Product: NPC230811

Natural Product ID:  NPC230811
Common Name:   14-Deoxycoleon U
IUPAC Name:   (4aR)-5,6,10-trihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
Synonyms:   14-Deoxycoleon U
Molecular Formula:   C20H26O4
Standard InCHIKey:  QDFALZMZLBCVCD-HXUWFJFHSA-N
Standard InCHI:  InChI=1S/C20H26O4/c1-10(2)11-9-12-13(16(23)14(11)21)20(5)8-6-7-19(3,4)18(20)17(24)15(12)22/h9-10,21,23-24H,6-8H2,1-5H3/t20-/m1/s1
Canonical SMILES:  OC1=C2C(C)(C)CCC[C@@]2(c2c(C1=O)cc(C(C)C)c(c2O)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
NPO18892 Salvinia molesta Species Salviniaceae Eukaryota Whole Plants East Texas, USA 2009-2011 PMID[24210499]
NPO30638 Cryptomeria fortunei Species Cupressaceae Eukaryota bark PMID[18549276]
NPO13465 Salvia broussonetii Species Lamiaceae Eukaryota roots PMID[15969497]
NPO33568 Caryopteris mongolica Species Lamiaceae Eukaryota Roots PMID[25958242]
NPO1809 Delphinium scabriflorum Species Ranunculaceae Eukaryota UNPD*
NPO1397 Cylindrocarpon lucidum Species Nectriaceae Eukaryota UNPD*
NPO9555 Aplysilla tango Species Darwinellidae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens Activity = 8.4 % 18549276
NPT116 Cell Line HL-60 Homo sapiens Activity = 13.9 % 18549276
NPT116 Cell Line HL-60 Homo sapiens Activity = 11.5 % 18549276
NPT116 Cell Line HL-60 Homo sapiens Activity = 53.6 % 18549276
NPT116 Cell Line HL-60 Homo sapiens Activity = 50.6 % 18549276
NPT81 Cell Line A549 Homo sapiens Activity = 50.6 % 18549276
NPT81 Cell Line A549 Homo sapiens Activity = 53.6 % 18549276
NPT81 Cell Line A549 Homo sapiens Activity = 11.5 % 18549276
NPT81 Cell Line A549 Homo sapiens Activity = 13.9 % 18549276
NPT81 Cell Line A549 Homo sapiens Activity = 8.4 % 18549276
NPT1161 Cell Line CHO Cricetulus griseus LD50 > 100 ug/ml 15969497
NPT776 Organism Spodoptera littoralis Spodoptera littoralis LD50 = 0.45 ug/ml 15969497
NPT776 Organism Spodoptera littoralis Spodoptera littoralis Activity = 99 % 15969497
NPT776 Organism Spodoptera littoralis Spodoptera littoralis Activity = 107 % 15969497
NPT1275 Organism Leptinotarsa decemlineata Leptinotarsa decemlineata EC50 = 1.8 microg/cm2 15969497
NPT171 Cell Line MRC5 Homo sapiens GI50 = 24750 nM 24210499
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 > 100000 nM 24210499
NPT2 Others Unspecified GI50 = 37280 nM 24210499
NPT2 Others Unspecified GI50 = 22590 nM 24210499
NPT116 Cell Line HL-60 Homo sapiens GI50 = 13330 nM 24210499
NPT306 Cell Line PC-3 Homo sapiens GI50 = 8390 nM 24210499
NPT81 Cell Line A549 Homo sapiens GI50 = 9100 nM 24210499
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 10.2 mm 25958242
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis IZ = 10.2 mm 25958242
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 16.8 mm 25958242
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 10.5 mm 25958242
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 17.8 mm 25958242
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis IZ = 18.2 mm 25958242
NPT729 Organism Micrococcus luteus Micrococcus luteus IZ = 9 mm 25958242
NPT729 Organism Micrococcus luteus Micrococcus luteus IZ = 14.8 mm 25958242
NPT633 Organism Leishmania donovani Leishmania donovani IC50 > 60000 nM 26905523
NPT139 Cell Line HT-29 Homo sapiens IC50 = 13300 nM 26905523
NPT2 Others Unspecified Ratio IC50 < 0.27 26905523
NPT634 Organism Leishmania amazonensis Leishmania amazonensis IC50 = 13000 nM 26905523
NPT2 Others Unspecified Ratio IC50 = 1 26905523

  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 NPC230811 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
0.9618 High Similarity NPC138472
0.9559 High Similarity NPC248068
0.947 High Similarity NPC4170
0.947 High Similarity NPC111845
0.9412 High Similarity NPC471853
0.9185 High Similarity NPC153088
0.9167 High Similarity NPC171460
0.9051 High Similarity NPC277559
0.9015 High Similarity NPC72667
0.8971 High Similarity NPC293454
0.8939 High Similarity NPC254492
0.8913 High Similarity NPC49911
0.8872 High Similarity NPC324209
0.8872 High Similarity NPC84672
0.8872 High Similarity NPC78364
0.8872 High Similarity NPC69424
0.8872 High Similarity NPC176130
0.8849 High Similarity NPC416
0.8849 High Similarity NPC61398
0.8841 High Similarity NPC7464
0.8815 High Similarity NPC108129
0.8811 High Similarity NPC258856
0.8788 High Similarity NPC199273
0.8777 High Similarity NPC475957
0.8768 High Similarity NPC258502
0.8759 High Similarity NPC78307
0.875 High Similarity NPC291001
0.8741 High Similarity NPC196941
0.8741 High Similarity NPC309169
0.8732 High Similarity NPC184935
0.8723 High Similarity NPC476534
0.8722 High Similarity NPC123506
0.8714 High Similarity NPC473779
0.8714 High Similarity NPC165191
0.8714 High Similarity NPC297797
0.8714 High Similarity NPC42384
0.8714 High Similarity NPC477849
0.8714 High Similarity NPC28592
0.8714 High Similarity NPC157284
0.8714 High Similarity NPC51531
0.8714 High Similarity NPC50615
0.8714 High Similarity NPC23667
0.8714 High Similarity NPC114333
0.8714 High Similarity NPC5014
0.8714 High Similarity NPC473479
0.8714 High Similarity NPC289358
0.8714 High Similarity NPC91887
0.8714 High Similarity NPC469857
0.8714 High Similarity NPC46242
0.8714 High Similarity NPC245760
0.8714 High Similarity NPC149773
0.8696 High Similarity NPC202225
0.869 High Similarity NPC52692
0.8681 High Similarity NPC75295
0.8667 High Similarity NPC96024
0.8652 High Similarity NPC294330
0.8643 High Similarity NPC264022
0.8636 High Similarity NPC282577
0.8613 High Similarity NPC471851
0.8603 High Similarity NPC276238
0.8603 High Similarity NPC303910
0.8601 High Similarity NPC291078
0.8592 High Similarity NPC473527
0.8582 High Similarity NPC469680
0.8582 High Similarity NPC471974
0.8582 High Similarity NPC469681
0.8571 High Similarity NPC474311
0.8561 High Similarity NPC154696
0.8552 High Similarity NPC225351
0.854 High Similarity NPC117609
0.8531 High Similarity NPC92079
0.8529 High Similarity NPC3009
0.8529 High Similarity NPC234175
0.8519 High Similarity NPC15837
0.8514 High Similarity NPC48949
0.8511 High Similarity NPC53001
0.8493 Intermediate Similarity NPC136878
0.8489 Intermediate Similarity NPC294226
0.8489 Intermediate Similarity NPC114183
0.8489 Intermediate Similarity NPC477139
0.8483 Intermediate Similarity NPC29932
0.8478 Intermediate Similarity NPC17083
0.8472 Intermediate Similarity NPC471972
0.8472 Intermediate Similarity NPC30846
0.8472 Intermediate Similarity NPC469855
0.8472 Intermediate Similarity NPC471971
0.8467 Intermediate Similarity NPC117899
0.8462 Intermediate Similarity NPC470035
0.8451 Intermediate Similarity NPC141368
0.8451 Intermediate Similarity NPC87723
0.8446 Intermediate Similarity NPC142654
0.844 Intermediate Similarity NPC471670
0.8435 Intermediate Similarity NPC5568
0.8435 Intermediate Similarity NPC10842
0.8433 Intermediate Similarity NPC273683
0.8429 Intermediate Similarity NPC270899
0.8429 Intermediate Similarity NPC12070
0.8425 Intermediate Similarity NPC470038
0.8417 Intermediate Similarity NPC58685
0.8414 Intermediate Similarity NPC199936
0.8394 Intermediate Similarity NPC193203
0.838 Intermediate Similarity NPC290030
0.838 Intermediate Similarity NPC36868
0.838 Intermediate Similarity NPC147418
0.8369 Intermediate Similarity NPC249272
0.8369 Intermediate Similarity NPC283088
0.8356 Intermediate Similarity NPC469854
0.8356 Intermediate Similarity NPC126707
0.8356 Intermediate Similarity NPC294679
0.8356 Intermediate Similarity NPC145301
0.8356 Intermediate Similarity NPC469375
0.8356 Intermediate Similarity NPC144247
0.8356 Intermediate Similarity NPC8493
0.8356 Intermediate Similarity NPC469856
0.8346 Intermediate Similarity NPC259703
0.8346 Intermediate Similarity NPC32322
0.8345 Intermediate Similarity NPC308572
0.8345 Intermediate Similarity NPC11314
0.8345 Intermediate Similarity NPC201297
0.8345 Intermediate Similarity NPC18798
0.8333 Intermediate Similarity NPC472838
0.8333 Intermediate Similarity NPC181560
0.8333 Intermediate Similarity NPC169452
0.8333 Intermediate Similarity NPC306011
0.8333 Intermediate Similarity NPC203063
0.8333 Intermediate Similarity NPC124842
0.8322 Intermediate Similarity NPC123714
0.8311 Intermediate Similarity NPC476821
0.8311 Intermediate Similarity NPC58373
0.831 Intermediate Similarity NPC315275
0.831 Intermediate Similarity NPC65005
0.831 Intermediate Similarity NPC194764
0.831 Intermediate Similarity NPC86524
0.831 Intermediate Similarity NPC264112
0.8299 Intermediate Similarity NPC68441
0.8299 Intermediate Similarity NPC84786
0.8298 Intermediate Similarity NPC50924
0.8288 Intermediate Similarity NPC100242
0.8264 Intermediate Similarity NPC472903
0.8264 Intermediate Similarity NPC242994
0.8264 Intermediate Similarity NPC138099
0.8261 Intermediate Similarity NPC229894
0.8252 Intermediate Similarity NPC471452
0.8252 Intermediate Similarity NPC471905
0.8248 Intermediate Similarity NPC231774
0.8248 Intermediate Similarity NPC3224
0.8247 Intermediate Similarity NPC104876
0.8247 Intermediate Similarity NPC245891
0.8243 Intermediate Similarity NPC58752
0.8243 Intermediate Similarity NPC273798
0.8243 Intermediate Similarity NPC246229
0.8243 Intermediate Similarity NPC474991
0.8243 Intermediate Similarity NPC471970
0.8243 Intermediate Similarity NPC476535
0.8243 Intermediate Similarity NPC191899
0.8239 Intermediate Similarity NPC477596
0.8239 Intermediate Similarity NPC103082
0.8235 Intermediate Similarity NPC15127
0.8235 Intermediate Similarity NPC471968
0.8227 Intermediate Similarity NPC115458
0.8224 Intermediate Similarity NPC62051
0.8219 Intermediate Similarity NPC193555
0.8219 Intermediate Similarity NPC141817
0.8219 Intermediate Similarity NPC176030
0.8219 Intermediate Similarity NPC192597
0.8219 Intermediate Similarity NPC169214
0.8219 Intermediate Similarity NPC229218
0.8214 Intermediate Similarity NPC243305
0.8214 Intermediate Similarity NPC476847
0.8212 Intermediate Similarity NPC35
0.8212 Intermediate Similarity NPC144283
0.8212 Intermediate Similarity NPC302783
0.8212 Intermediate Similarity NPC473201
0.8209 Intermediate Similarity NPC236520
0.8209 Intermediate Similarity NPC294361
0.8201 Intermediate Similarity NPC99731
0.8201 Intermediate Similarity NPC278928
0.8194 Intermediate Similarity NPC206207
0.8194 Intermediate Similarity NPC13715
0.8188 Intermediate Similarity NPC127046
0.8188 Intermediate Similarity NPC470757
0.8182 Intermediate Similarity NPC254847
0.8182 Intermediate Similarity NPC191976
0.8176 Intermediate Similarity NPC478160
0.8175 Intermediate Similarity NPC137750
0.8169 Intermediate Similarity NPC204582
0.8169 Intermediate Similarity NPC282780
0.8169 Intermediate Similarity NPC166480
0.8169 Intermediate Similarity NPC52368
0.8169 Intermediate Similarity NPC218854
0.8169 Intermediate Similarity NPC477594
0.8165 Intermediate Similarity NPC263212
0.8163 Intermediate Similarity NPC238629
0.8163 Intermediate Similarity NPC143898
0.8163 Intermediate Similarity NPC50954
0.8162 Intermediate Similarity NPC275145
0.8156 Intermediate Similarity NPC165612
0.8156 Intermediate Similarity NPC309430
0.8151 Intermediate Similarity NPC2681
0.8151 Intermediate Similarity NPC472904

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC230811 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
0.8299 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8056 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.8028 Intermediate Similarity NPD943 Approved
0.7926 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7914 Intermediate Similarity NPD1470 Approved
0.7868 Intermediate Similarity NPD2932 Approved
0.78 Intermediate Similarity NPD3300 Phase 2
0.7785 Intermediate Similarity NPD8166 Discontinued
0.7755 Intermediate Similarity NPD5408 Approved
0.7755 Intermediate Similarity NPD5404 Approved
0.7755 Intermediate Similarity NPD5405 Approved
0.7755 Intermediate Similarity NPD5406 Approved
0.7754 Intermediate Similarity NPD1201 Approved
0.7748 Intermediate Similarity NPD7390 Discontinued
0.7737 Intermediate Similarity NPD3019 Approved
0.75 Intermediate Similarity NPD7473 Discontinued
0.745 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD9269 Phase 2
0.7445 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD6232 Discontinued
0.7421 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD3882 Suspended
0.732 Intermediate Similarity NPD7003 Approved
0.7313 Intermediate Similarity NPD3022 Approved
0.7313 Intermediate Similarity NPD3021 Approved
0.7308 Intermediate Similarity NPD1512 Approved
0.7305 Intermediate Similarity NPD3023 Approved
0.7305 Intermediate Similarity NPD3026 Approved
0.7299 Intermediate Similarity NPD5951 Approved
0.7286 Intermediate Similarity NPD3024 Approved
0.7286 Intermediate Similarity NPD3025 Approved
0.7278 Intermediate Similarity NPD7458 Discontinued
0.7248 Intermediate Similarity NPD230 Phase 1
0.7237 Intermediate Similarity NPD2346 Discontinued
0.7208 Intermediate Similarity NPD4628 Phase 3
0.7205 Intermediate Similarity NPD2801 Approved
0.7193 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD1511 Approved
0.7171 Intermediate Similarity NPD6100 Approved
0.7171 Intermediate Similarity NPD6099 Approved
0.717 Intermediate Similarity NPD3226 Approved
0.7168 Intermediate Similarity NPD8150 Discontinued
0.7163 Intermediate Similarity NPD9268 Approved
0.7162 Intermediate Similarity NPD3764 Approved
0.7161 Intermediate Similarity NPD6190 Approved
0.7143 Intermediate Similarity NPD1934 Approved
0.7134 Intermediate Similarity NPD2533 Approved
0.7134 Intermediate Similarity NPD2534 Approved
0.7134 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD2532 Approved
0.7117 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD5844 Phase 1
0.7099 Intermediate Similarity NPD1465 Phase 2
0.7097 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD3972 Approved
0.7075 Intermediate Similarity NPD9494 Approved
0.7032 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD2800 Approved
0.7029 Intermediate Similarity NPD7635 Approved
0.7024 Intermediate Similarity NPD6166 Phase 2
0.7024 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6599 Discontinued
0.7014 Intermediate Similarity NPD3092 Approved
0.7011 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6663 Approved
0.6994 Remote Similarity NPD7819 Suspended
0.6993 Remote Similarity NPD2799 Discontinued
0.6987 Remote Similarity NPD3750 Approved
0.6985 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6977 Remote Similarity NPD5031 Approved
0.6977 Remote Similarity NPD5027 Approved
0.6977 Remote Similarity NPD5029 Approved
0.6974 Remote Similarity NPD1607 Approved
0.6974 Remote Similarity NPD6651 Approved
0.697 Remote Similarity NPD7075 Discontinued
0.6968 Remote Similarity NPD970 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5736 Approved
0.6948 Remote Similarity NPD2935 Discontinued
0.6946 Remote Similarity NPD6959 Discontinued
0.6939 Remote Similarity NPD3094 Phase 2
0.6939 Remote Similarity NPD1164 Approved
0.6934 Remote Similarity NPD4750 Phase 3
0.6919 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6918 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6918 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6914 Remote Similarity NPD4380 Phase 2
0.6912 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6912 Remote Similarity NPD2342 Discontinued
0.689 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6886 Remote Similarity NPD5494 Approved
0.6883 Remote Similarity NPD1510 Phase 2
0.6871 Remote Similarity NPD1283 Approved
0.6867 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6853 Remote Similarity NPD3091 Approved
0.6849 Remote Similarity NPD4878 Approved
0.6848 Remote Similarity NPD3817 Phase 2
0.6842 Remote Similarity NPD4060 Phase 1
0.6842 Remote Similarity NPD1240 Approved
0.6842 Remote Similarity NPD3818 Discontinued
0.6842 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3620 Phase 2
0.6839 Remote Similarity NPD4955 Approved
0.6839 Remote Similarity NPD5034 Approved
0.6839 Remote Similarity NPD36 Approved
0.6839 Remote Similarity NPD5028 Approved
0.6839 Remote Similarity NPD4954 Approved
0.6839 Remote Similarity NPD5026 Approved
0.6826 Remote Similarity NPD6234 Discontinued
0.6816 Remote Similarity NPD7879 Clinical (unspecified phase)
0.681 Remote Similarity NPD7028 Phase 2
0.6806 Remote Similarity NPD1651 Approved
0.6795 Remote Similarity NPD2344 Approved
0.6794 Remote Similarity NPD1809 Phase 2
0.6792 Remote Similarity NPD7236 Approved
0.6782 Remote Similarity NPD5030 Phase 2
0.678 Remote Similarity NPD8434 Phase 2
0.678 Remote Similarity NPD5037 Approved
0.678 Remote Similarity NPD5038 Approved
0.6779 Remote Similarity NPD2798 Approved
0.677 Remote Similarity NPD6273 Approved
0.6759 Remote Similarity NPD4059 Approved
0.6759 Remote Similarity NPD4626 Approved
0.675 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6748 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6747 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6743 Remote Similarity NPD5032 Approved
0.6742 Remote Similarity NPD3495 Discontinued
0.674 Remote Similarity NPD6534 Approved
0.674 Remote Similarity NPD6535 Approved
0.6736 Remote Similarity NPD9545 Approved
0.6727 Remote Similarity NPD6801 Discontinued
0.6727 Remote Similarity NPD37 Approved
0.6724 Remote Similarity NPD6797 Phase 2
0.6723 Remote Similarity NPD5036 Approved
0.6722 Remote Similarity NPD5968 Phase 3
0.6714 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6711 Remote Similarity NPD2313 Discontinued
0.6705 Remote Similarity NPD5035 Approved
0.6704 Remote Similarity NPD6836 Approved
0.669 Remote Similarity NPD2629 Approved
0.6689 Remote Similarity NPD1755 Approved
0.6688 Remote Similarity NPD1471 Phase 3
0.6687 Remote Similarity NPD7239 Suspended
0.6686 Remote Similarity NPD7251 Discontinued
0.6667 Remote Similarity NPD3748 Approved
0.6667 Remote Similarity NPD7074 Phase 3
0.6667 Remote Similarity NPD2491 Approved
0.6667 Remote Similarity NPD7610 Discontinued
0.6667 Remote Similarity NPD1281 Approved
0.6667 Remote Similarity NPD2490 Approved
0.6667 Remote Similarity NPD2488 Approved
0.6648 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6647 Remote Similarity NPD8127 Discontinued
0.6647 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6646 Remote Similarity NPD6799 Approved
0.6646 Remote Similarity NPD1549 Phase 2
0.6645 Remote Similarity NPD7008 Discontinued
0.6644 Remote Similarity NPD1876 Approved
0.6644 Remote Similarity NPD3095 Discontinued
0.6642 Remote Similarity NPD3020 Approved
0.663 Remote Similarity NPD7699 Phase 2
0.663 Remote Similarity NPD7700 Phase 2
0.6626 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6625 Remote Similarity NPD2309 Approved
0.6623 Remote Similarity NPD4208 Discontinued
0.6618 Remote Similarity NPD1929 Approved
0.6618 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6618 Remote Similarity NPD1930 Approved
0.6617 Remote Similarity NPD288 Approved
0.661 Remote Similarity NPD8312 Approved
0.661 Remote Similarity NPD8313 Approved
0.6609 Remote Similarity NPD6020 Phase 2
0.6609 Remote Similarity NPD7054 Approved
0.6608 Remote Similarity NPD5711 Approved
0.6608 Remote Similarity NPD5710 Approved
0.6607 Remote Similarity NPD4966 Approved
0.6607 Remote Similarity NPD4967 Phase 2
0.6607 Remote Similarity NPD4965 Approved
0.6605 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6599 Remote Similarity NPD4879 Approved
0.659 Remote Similarity NPD5033 Approved
0.6582 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6582 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6578 Remote Similarity NPD3448 Approved
0.6578 Remote Similarity NPD3057 Approved
0.6577 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6571 Remote Similarity NPD7472 Approved
0.657 Remote Similarity NPD7184 Clinical (unspecified phase)
0.657 Remote Similarity NPD3926 Phase 2
0.6569 Remote Similarity NPD1237 Approved
0.6568 Remote Similarity NPD3749 Approved
0.6566 Remote Similarity NPD7411 Suspended
0.6564 Remote Similarity NPD5049 Phase 3
0.6559 Remote Similarity NPD6780 Approved

Structure

External Identifiers

PubChem CID   10735190
ChEMBL   CHEMBL488040
ZINC  

Physicochemical Properties

Molecular Weight:  330.18
ALogP:  0.1208
MLogP:  3.22
XLogP:  4.625
# Rotatable Bonds:  9
Polar Surface Area:  77.76
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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