Natural Product: NPC115869

Natural Product ID:  NPC115869
Common Name:   Cacalol
IUPAC Name:   (5S)-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-9-ol
Synonyms:   Cacalol
Molecular Formula:   C15H18O2
Standard InCHIKey:  OUFUBABGIIEJNV-QMMMGPOBSA-N
Standard InCHI:  InChI=1S/C15H18O2/c1-8-5-4-6-11-12(8)10(3)13-9(2)7-17-15(13)14(11)16/h7-8,16H,4-6H2,1-3H3/t8-/m0/s1
Canonical SMILES:  C[C@H]1CCCc2c1c(C)c1c(c2O)occ1C
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
NPO20198 Lobaria isidiosa Species Lobariaceae Eukaryota UNPD*
NPO1393 Meehania urticifolia Species Lamiaceae Eukaryota UNPD*
NPO12799 Stereocaulon cornutum Species Stereocaulaceae Eukaryota UNPD*
NPO6737 Psacalium radulifolium Species Asteraceae Eukaryota roots PMID[11325222]
NPO28034 Artemisia sylvatica Species Asteraceae Eukaryota UNPD*
NPO28317 Marinobacter hydrocarbonoclasticus Species Alteromonadaceae Bacteria UNPD*
NPO28508 Flourensia cernua Species Asteraceae Eukaryota UNPD*
NPO10159 Sclerotinia minor Species Sclerotiniaceae Eukaryota UNPD*
NPO5165 Euphorbia heterophylla Species Euphorbiaceae Eukaryota UNPD*
NPO13261 Suberea clavata Species Aplysinellidae Eukaryota UNPD*
NPO14293 Frantzia talamancensis Species Cucurbitaceae Eukaryota UNPD*
NPO398 Adenostyles alpina Species Asteraceae Eukaryota UNPD*
NPO3443 Dryopteris austriaca Species Dryopteridaceae Eukaryota UNPD*
NPO23760 Scytonema hofmannii Species Scytonemataceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 12 ug/ml 11325222
NPT19 Organism Escherichia coli Escherichia coli MIC = 25 ug/ml 11325222
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 400 ug/ml 11325222
NPT172 Organism Proteus mirabilis Proteus mirabilis MIC = 12 ug/ml 11325222
NPT20 Organism Candida albicans Candida albicans MIC = 12 ug/ml 11325222
NPT176 Organism Artemia salina Artemia salina LD50 = 12 ppm 11325222
NPT32 Organism Mus musculus Mus musculus Activity = 4.6 ug 10479309
NPT32 Organism Mus musculus Mus musculus Activity = 4.50E-05 ug 10479309
NPT32 Organism Mus musculus Mus musculus Activity = -13.4 mg/dl 10479309
NPT32 Organism Mus musculus Mus musculus Activity = -105.1 mg/dl 10479309
NPT32 Organism Mus musculus Mus musculus Activity = -124 mg/dl 10479309
NPT32 Organism Mus musculus Mus musculus Activity = 48.3 mg/dl 10479309
NPT32 Organism Mus musculus Mus musculus Activity = 43.5 ug 10479309
NPT32 Organism Mus musculus Mus musculus Activity = 4.1 ug 10479309

  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 NPC115869 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
0.875 High Similarity NPC191012
0.8726 High Similarity NPC228501
0.8701 High Similarity NPC75377
0.8671 High Similarity NPC21046
0.8654 High Similarity NPC268008
0.8645 High Similarity NPC131121
0.858 High Similarity NPC186392
0.8543 High Similarity NPC158871
0.8535 High Similarity NPC180901
0.8535 High Similarity NPC300757
0.8477 Intermediate Similarity NPC27220
0.8457 Intermediate Similarity NPC279768
0.8447 Intermediate Similarity NPC144843
0.8438 Intermediate Similarity NPC472961
0.8438 Intermediate Similarity NPC472962
0.8435 Intermediate Similarity NPC324117
0.8418 Intermediate Similarity NPC80489
0.8408 Intermediate Similarity NPC60211
0.8397 Intermediate Similarity NPC475718
0.8395 Intermediate Similarity NPC132054
0.8377 Intermediate Similarity NPC39361
0.8373 Intermediate Similarity NPC277510
0.8366 Intermediate Similarity NPC196941
0.8366 Intermediate Similarity NPC309169
0.8366 Intermediate Similarity NPC275278
0.8365 Intermediate Similarity NPC288353
0.8365 Intermediate Similarity NPC213401
0.8364 Intermediate Similarity NPC131866
0.8355 Intermediate Similarity NPC11314
0.8354 Intermediate Similarity NPC45760
0.8344 Intermediate Similarity NPC472838
0.8344 Intermediate Similarity NPC70320
0.8344 Intermediate Similarity NPC306011
0.8333 Intermediate Similarity NPC233707
0.8323 Intermediate Similarity NPC58373
0.8323 Intermediate Similarity NPC47623
0.8311 Intermediate Similarity NPC209858
0.8301 Intermediate Similarity NPC50954
0.8294 Intermediate Similarity NPC228209
0.8293 Intermediate Similarity NPC298071
0.8291 Intermediate Similarity NPC3744
0.8291 Intermediate Similarity NPC137125
0.8272 Intermediate Similarity NPC469889
0.8272 Intermediate Similarity NPC269117
0.8269 Intermediate Similarity NPC474556
0.8269 Intermediate Similarity NPC471852
0.8256 Intermediate Similarity NPC240808
0.8247 Intermediate Similarity NPC91694
0.8247 Intermediate Similarity NPC300603
0.8239 Intermediate Similarity NPC84721
0.8235 Intermediate Similarity NPC475996
0.8232 Intermediate Similarity NPC41689
0.8225 Intermediate Similarity NPC77179
0.8225 Intermediate Similarity NPC23553
0.8225 Intermediate Similarity NPC246877
0.8217 Intermediate Similarity NPC472837
0.8205 Intermediate Similarity NPC52692
0.8199 Intermediate Similarity NPC143328
0.8194 Intermediate Similarity NPC225351
0.8193 Intermediate Similarity NPC247136
0.8187 Intermediate Similarity NPC240508
0.8187 Intermediate Similarity NPC246153
0.8187 Intermediate Similarity NPC8927
0.8182 Intermediate Similarity NPC255787
0.8182 Intermediate Similarity NPC263212
0.8176 Intermediate Similarity NPC104682
0.8171 Intermediate Similarity NPC133065
0.8171 Intermediate Similarity NPC270837
0.8171 Intermediate Similarity NPC208120
0.8171 Intermediate Similarity NPC173587
0.8171 Intermediate Similarity NPC15819
0.8166 Intermediate Similarity NPC49667
0.8166 Intermediate Similarity NPC8127
0.8165 Intermediate Similarity NPC295977
0.8165 Intermediate Similarity NPC58310
0.8148 Intermediate Similarity NPC250076
0.8148 Intermediate Similarity NPC85121
0.8148 Intermediate Similarity NPC104876
0.8148 Intermediate Similarity NPC245891
0.8141 Intermediate Similarity NPC169682
0.8133 Intermediate Similarity NPC95715
0.8133 Intermediate Similarity NPC247973
0.8133 Intermediate Similarity NPC232936
0.8133 Intermediate Similarity NPC204592
0.8125 Intermediate Similarity NPC474000
0.8121 Intermediate Similarity NPC25361
0.8121 Intermediate Similarity NPC146584
0.8121 Intermediate Similarity NPC21016
0.8121 Intermediate Similarity NPC475888
0.8121 Intermediate Similarity NPC326520
0.8121 Intermediate Similarity NPC303174
0.8121 Intermediate Similarity NPC39306
0.8118 Intermediate Similarity NPC221820
0.8117 Intermediate Similarity NPC141817
0.8117 Intermediate Similarity NPC176030
0.8117 Intermediate Similarity NPC192597
0.8117 Intermediate Similarity NPC169214
0.8117 Intermediate Similarity NPC229218
0.8114 Intermediate Similarity NPC60848
0.8113 Intermediate Similarity NPC302783
0.8113 Intermediate Similarity NPC473201
0.811 Intermediate Similarity NPC294965
0.811 Intermediate Similarity NPC211107
0.811 Intermediate Similarity NPC272722
0.8107 Intermediate Similarity NPC227906
0.8107 Intermediate Similarity NPC287243
0.8101 Intermediate Similarity NPC261322
0.8101 Intermediate Similarity NPC303989
0.8098 Intermediate Similarity NPC36217
0.8098 Intermediate Similarity NPC141574
0.8095 Intermediate Similarity NPC292794
0.8095 Intermediate Similarity NPC307286
0.8092 Intermediate Similarity NPC62735
0.8086 Intermediate Similarity NPC294300
0.8086 Intermediate Similarity NPC473282
0.8086 Intermediate Similarity NPC104380
0.8086 Intermediate Similarity NPC476404
0.8086 Intermediate Similarity NPC217602
0.8086 Intermediate Similarity NPC317900
0.8084 Intermediate Similarity NPC213416
0.8072 Intermediate Similarity NPC43319
0.8072 Intermediate Similarity NPC43065
0.8072 Intermediate Similarity NPC170245
0.8063 Intermediate Similarity NPC28103
0.8063 Intermediate Similarity NPC164912
0.8061 Intermediate Similarity NPC59295
0.8061 Intermediate Similarity NPC263092
0.8061 Intermediate Similarity NPC236132
0.8061 Intermediate Similarity NPC308156
0.8061 Intermediate Similarity NPC1755
0.8061 Intermediate Similarity NPC1706
0.8061 Intermediate Similarity NPC197168
0.8061 Intermediate Similarity NPC474240
0.8061 Intermediate Similarity NPC39305
0.805 Intermediate Similarity NPC31132
0.805 Intermediate Similarity NPC13282
0.8049 Intermediate Similarity NPC187354
0.8049 Intermediate Similarity NPC99968
0.8049 Intermediate Similarity NPC318081
0.8049 Intermediate Similarity NPC66288
0.8049 Intermediate Similarity NPC131905
0.8047 Intermediate Similarity NPC233956
0.8047 Intermediate Similarity NPC216842
0.8047 Intermediate Similarity NPC476640
0.8047 Intermediate Similarity NPC82217
0.8047 Intermediate Similarity NPC65885
0.8038 Intermediate Similarity NPC237904
0.8037 Intermediate Similarity NPC472299
0.8036 Intermediate Similarity NPC279209
0.8036 Intermediate Similarity NPC28042
0.8036 Intermediate Similarity NPC281835
0.8036 Intermediate Similarity NPC102277
0.8025 Intermediate Similarity NPC180924
0.8025 Intermediate Similarity NPC475799
0.8025 Intermediate Similarity NPC472461
0.8025 Intermediate Similarity NPC13779
0.8024 Intermediate Similarity NPC241820
0.8024 Intermediate Similarity NPC150131
0.8024 Intermediate Similarity NPC474024
0.8024 Intermediate Similarity NPC218226
0.8024 Intermediate Similarity NPC126204
0.8012 Intermediate Similarity NPC37183
0.8012 Intermediate Similarity NPC290927
0.8012 Intermediate Similarity NPC45449
0.8012 Intermediate Similarity NPC291110
0.8012 Intermediate Similarity NPC93552
0.8012 Intermediate Similarity NPC189130
0.8012 Intermediate Similarity NPC475770
0.8012 Intermediate Similarity NPC102372
0.8012 Intermediate Similarity NPC36320
0.8012 Intermediate Similarity NPC47191
0.8 Intermediate Similarity NPC312056
0.8 Intermediate Similarity NPC238995
0.8 Intermediate Similarity NPC201800
0.8 Intermediate Similarity NPC272566
0.8 Intermediate Similarity NPC78505
0.8 Intermediate Similarity NPC139350
0.8 Intermediate Similarity NPC144283
0.8 Intermediate Similarity NPC84515
0.8 Intermediate Similarity NPC118427
0.7988 Intermediate Similarity NPC14353
0.7988 Intermediate Similarity NPC282009
0.7988 Intermediate Similarity NPC287328
0.7988 Intermediate Similarity NPC247964
0.7988 Intermediate Similarity NPC228785
0.7988 Intermediate Similarity NPC4200
0.7988 Intermediate Similarity NPC470326
0.7988 Intermediate Similarity NPC54098
0.7988 Intermediate Similarity NPC472624
0.7988 Intermediate Similarity NPC230619
0.7988 Intermediate Similarity NPC470810
0.7988 Intermediate Similarity NPC56085
0.7987 Intermediate Similarity NPC279596
0.7976 Intermediate Similarity NPC165456
0.7975 Intermediate Similarity NPC469425
0.7975 Intermediate Similarity NPC123153
0.7975 Intermediate Similarity NPC37543
0.7975 Intermediate Similarity NPC199463
0.7975 Intermediate Similarity NPC136674
0.7975 Intermediate Similarity NPC236166

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC115869 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
0.8025 Intermediate Similarity NPD3882 Suspended
0.7818 Intermediate Similarity NPD919 Approved
0.7791 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD1934 Approved
0.7725 Intermediate Similarity NPD1247 Approved
0.7661 Intermediate Similarity NPD5844 Phase 1
0.7647 Intermediate Similarity NPD7473 Discontinued
0.7628 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD9494 Approved
0.7588 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7588 Intermediate Similarity NPD6166 Phase 2
0.7588 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD1512 Approved
0.7576 Intermediate Similarity NPD2801 Approved
0.7574 Intermediate Similarity NPD6232 Discontinued
0.7529 Intermediate Similarity NPD6559 Discontinued
0.7516 Intermediate Similarity NPD2532 Approved
0.7516 Intermediate Similarity NPD2344 Approved
0.7516 Intermediate Similarity NPD2534 Approved
0.7516 Intermediate Similarity NPD2533 Approved
0.7484 Intermediate Similarity NPD4628 Phase 3
0.747 Intermediate Similarity NPD1465 Phase 2
0.7468 Intermediate Similarity NPD4060 Phase 1
0.7456 Intermediate Similarity NPD5494 Approved
0.7453 Intermediate Similarity NPD1511 Approved
0.7427 Intermediate Similarity NPD3926 Phase 2
0.7425 Intermediate Similarity NPD3817 Phase 2
0.7412 Intermediate Similarity NPD6959 Discontinued
0.7407 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD3818 Discontinued
0.7381 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD2491 Approved
0.736 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD7075 Discontinued
0.7333 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD2309 Approved
0.7326 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD8434 Phase 2
0.7312 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD1471 Phase 3
0.7294 Intermediate Similarity NPD6234 Discontinued
0.7289 Intermediate Similarity NPD6599 Discontinued
0.7285 Intermediate Similarity NPD1283 Approved
0.7273 Intermediate Similarity NPD3448 Approved
0.7273 Intermediate Similarity NPD3057 Approved
0.7262 Intermediate Similarity NPD7819 Suspended
0.7262 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD1651 Approved
0.7219 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD7074 Phase 3
0.7209 Intermediate Similarity NPD7199 Phase 2
0.7198 Intermediate Similarity NPD2490 Approved
0.7198 Intermediate Similarity NPD2488 Approved
0.7197 Intermediate Similarity NPD6355 Discontinued
0.7188 Intermediate Similarity NPD2346 Discontinued
0.7184 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD2972 Approved
0.7181 Intermediate Similarity NPD3533 Approved
0.7178 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD6797 Phase 2
0.7175 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD7003 Approved
0.7159 Intermediate Similarity NPD7054 Approved
0.7152 Intermediate Similarity NPD1607 Approved
0.7143 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7251 Discontinued
0.7134 Intermediate Similarity NPD6799 Approved
0.7126 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7458 Discontinued
0.7126 Intermediate Similarity NPD3226 Approved
0.7125 Intermediate Similarity NPD6100 Approved
0.7125 Intermediate Similarity NPD6099 Approved
0.7119 Intermediate Similarity NPD7472 Approved
0.7118 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD920 Approved
0.7105 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD2163 Approved
0.7101 Intermediate Similarity NPD37 Approved
0.7101 Intermediate Similarity NPD6801 Discontinued
0.7099 Intermediate Similarity NPD2800 Approved
0.7099 Intermediate Similarity NPD1243 Approved
0.7095 Intermediate Similarity NPD7808 Phase 3
0.7095 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD1281 Approved
0.7083 Intermediate Similarity NPD4380 Phase 2
0.7081 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD4967 Phase 2
0.7076 Intermediate Similarity NPD4966 Approved
0.7076 Intermediate Similarity NPD4965 Approved
0.7063 Intermediate Similarity NPD2799 Discontinued
0.7048 Intermediate Similarity NPD6273 Approved
0.7039 Intermediate Similarity NPD1608 Approved
0.7037 Intermediate Similarity NPD1549 Phase 2
0.7035 Intermediate Similarity NPD3749 Approved
0.7025 Intermediate Similarity NPD1240 Approved
0.7025 Intermediate Similarity NPD3620 Phase 2
0.7025 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7228 Approved
0.7006 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.6994 Remote Similarity NPD6674 Discontinued
0.6988 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6988 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5762 Approved
0.6975 Remote Similarity NPD5763 Approved
0.6971 Remote Similarity NPD5711 Approved
0.6971 Remote Similarity NPD5710 Approved
0.6966 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6957 Remote Similarity NPD1510 Phase 2
0.6957 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6951 Remote Similarity NPD4110 Phase 3
0.6951 Remote Similarity NPD3750 Approved
0.6951 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6928 Remote Similarity NPD3972 Approved
0.6918 Remote Similarity NPD2979 Phase 3
0.6918 Remote Similarity NPD943 Approved
0.6914 Remote Similarity NPD1551 Phase 2
0.6914 Remote Similarity NPD8127 Discontinued
0.6914 Remote Similarity NPD2438 Suspended
0.6914 Remote Similarity NPD2796 Approved
0.6914 Remote Similarity NPD2935 Discontinued
0.691 Remote Similarity NPD7177 Discontinued
0.6905 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6899 Remote Similarity NPD6798 Discontinued
0.6897 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6895 Remote Similarity NPD4107 Approved
0.6888 Remote Similarity NPD5676 Approved
0.6882 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6875 Remote Similarity NPD230 Phase 1
0.6868 Remote Similarity NPD8313 Approved
0.6868 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6868 Remote Similarity NPD8312 Approved
0.6863 Remote Similarity NPD1201 Approved
0.6852 Remote Similarity NPD651 Clinical (unspecified phase)
0.6851 Remote Similarity NPD6765 Approved
0.6851 Remote Similarity NPD6764 Approved
0.6848 Remote Similarity NPD8166 Discontinued
0.6845 Remote Similarity NPD5049 Phase 3
0.6842 Remote Similarity NPD17 Approved
0.6842 Remote Similarity NPD4626 Approved
0.6842 Remote Similarity NPD7411 Suspended
0.6839 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6839 Remote Similarity NPD1876 Approved
0.6835 Remote Similarity NPD4625 Phase 3
0.6832 Remote Similarity NPD6651 Approved
0.6826 Remote Similarity NPD7390 Discontinued
0.6821 Remote Similarity NPD2296 Approved
0.6816 Remote Similarity NPD4111 Phase 1
0.6816 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6816 Remote Similarity NPD4665 Approved
0.6815 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6813 Remote Similarity NPD1613 Approved
0.6813 Remote Similarity NPD1612 Clinical (unspecified phase)
0.681 Remote Similarity NPD4476 Approved
0.681 Remote Similarity NPD4477 Approved
0.6806 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6798 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6784 Remote Similarity NPD7028 Phase 2
0.6782 Remote Similarity NPD7768 Phase 2
0.678 Remote Similarity NPD7229 Phase 3
0.6776 Remote Similarity NPD5691 Approved
0.6776 Remote Similarity NPD2968 Approved
0.6776 Remote Similarity NPD2971 Approved
0.6772 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6771 Remote Similarity NPD4482 Phase 3
0.6771 Remote Similarity NPD2493 Approved
0.6771 Remote Similarity NPD2494 Approved
0.677 Remote Similarity NPD447 Suspended
0.6763 Remote Similarity NPD5761 Phase 2
0.6763 Remote Similarity NPD5760 Phase 2
0.6763 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6758 Remote Similarity NPD7685 Pre-registration
0.6757 Remote Similarity NPD8150 Discontinued
0.6753 Remote Similarity NPD4582 Approved
0.6753 Remote Similarity NPD4583 Approved
0.6749 Remote Similarity NPD7907 Approved
0.6747 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6731 Remote Similarity NPD6696 Suspended
0.673 Remote Similarity NPD3027 Phase 3
0.6724 Remote Similarity NPD5978 Approved
0.6724 Remote Similarity NPD5977 Approved
0.6722 Remote Similarity NPD3751 Discontinued
0.6721 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6711 Remote Similarity NPD1398 Phase 1
0.6709 Remote Similarity NPD2861 Phase 2
0.6707 Remote Similarity NPD5406 Approved
0.6707 Remote Similarity NPD5405 Approved
0.6707 Remote Similarity NPD5404 Approved
0.6707 Remote Similarity NPD5408 Approved
0.6707 Remote Similarity NPD2354 Approved
0.6707 Remote Similarity NPD2531 Phase 2
0.6707 Remote Similarity NPD6190 Approved
0.6705 Remote Similarity NPD6279 Approved
0.6705 Remote Similarity NPD6280 Approved
0.6703 Remote Similarity NPD6784 Approved
0.6703 Remote Similarity NPD6785 Approved
0.6701 Remote Similarity NPD4004 Approved

Structure

External Identifiers

PubChem CID   181105
ChEMBL   CHEMBL452935
ZINC  

Physicochemical Properties

Molecular Weight:  230.13
ALogP:  0.833
MLogP:  2.89
XLogP:  3.648
# Rotatable Bonds:  4
Polar Surface Area:  33.37
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  17

Download Data

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