Natural Product: NPC133302

Natural Product ID:  NPC133302
Common Name:   (2S,3S)-3-Hydroxy-6-(2-Hydroxyethyl)-7-(Hydroxymethyl)-2,5-Dimethyl-2,3-Dihydroinden-1-One
IUPAC Name:   (2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-7-(hydroxymethyl)-2,5-dimethyl-2,3-dihydroinden-1-one
Synonyms:  
Molecular Formula:   C14H18O4
Standard InCHIKey:  VUTYSCZGARSHDC-SDBXPKJASA-N
Standard InCHI:  InChI=1S/C14H18O4/c1-7-5-10-12(14(18)8(2)13(10)17)11(6-16)9(7)3-4-15/h5,8,13,15-17H,3-4,6H2,1-2H3/t8-,13-/m0/s1
Canonical SMILES:  OCCc1c(C)cc2c(c1CO)C(=O)[C@H]([C@@H]2O)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
NPO14077 Chamaecyparis lawsoniana Species Cupressaceae Eukaryota UNPD*
NPO27620.1 Pteris cretica var. nervosa Varieties Pteridaceae Eukaryota TCMID*
NPO15306 Smilax japonica Species Smilacaceae Eukaryota UNPD*
NPO26770 Pteris multifida Species Pteridaceae Eukaryota TCMID*
NPO14630 Boronia ramosa Species Rutaceae Eukaryota UNPD*
NPO1632 Pteris livida Species Pteridaceae Eukaryota TCMID*
NPO19369 Bacillus thuringiensis Species Bacillaceae Bacteria UNPD*
NPO15094 Coriaria myrtifolia Species Coriariaceae Eukaryota UNPD*
NPO8611 Cornutia grandifolia Species Lamiaceae Eukaryota UNPD*
NPO7868 Xeromphis obovata NA NA NA UNPD*
NPO2756 Emerita analoga Species Hippidae Eukaryota UNPD*
NPO11567 Picradeniopsis absinthifolia Species Asteraceae Eukaryota UNPD*
NPO8866 Papaver atlanticum Species Papaveraceae Eukaryota UNPD*
NPO26770 Pteris multifida Species Pteridaceae Eukaryota UNPD*
NPO1890 Lidbeckia pectinata Species Asteraceae Eukaryota UNPD*
NPO16170 Xerula longipes Species Physalacriaceae Eukaryota UNPD*
NPO13360 Passiflora racemosa Species Passifloraceae Eukaryota UNPD*
NPO7056 Pedinophyllum interruptum Species Plagiochilaceae Eukaryota UNPD*
NPO15726 Rudbeckia subtomentosa Species Asteraceae Eukaryota UNPD*
NPO3494 Swietenia mahagoni Species Meliaceae Eukaryota UNPD*
NPO13626 Aconitum karakolicum Species Ranunculaceae Eukaryota UNPD*
NPO27787 Pseudocentrotus depressus Species Echinidae Eukaryota UNPD*
NPO12517 Tylophora cordifolia Species Apocynaceae Eukaryota UNPD*
NPO2312 Encephalosphaera lasiandra Species Acanthaceae Eukaryota UNPD*
NPO13236 Viguiera multiflora Species Asteraceae Eukaryota UNPD*
NPO11601 Chandonanthus hirtellus Species Anastrophyllaceae Eukaryota UNPD*
NPO10624 Solidago wrightii Species Asteraceae Eukaryota UNPD*
NPO15818 Lycianthes marlipoensis Species Solanaceae Eukaryota UNPD*
NPO9155 Kageneckia angustifolia Species Rosaceae Eukaryota UNPD*
NPO12294 Kydia calycina Species Malvaceae Eukaryota UNPD*
NPO21926 Pseudomonas aeruginosa Species Pseudomonadaceae Bacteria UNPD*
NPO5691 Pteridis multifidae herba NA NA NA TCMSP*
NPO18854 Jamesonia scammaniae Species Pteridaceae Eukaryota TCMID*
NPO27620 Pteris cretica Species Pteridaceae Eukaryota TCMID*
NPO4342 Jamesonia flexuosa Species Pteridaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT8 Individual Protein DNA polymerase iota Homo sapiens Potency 25118.9 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 259.3 nM PubChem BioAssay data set
NPT920 Individual Protein Alpha-synuclein Homo sapiens Potency 31622.8 nM PubChem BioAssay data set

  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 NPC133302 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
0.9483 High Similarity NPC18785
0.8793 High Similarity NPC274839
0.875 High Similarity NPC185763
0.875 High Similarity NPC83409
0.8615 High Similarity NPC156393
0.8509 High Similarity NPC112903
0.8319 Intermediate Similarity NPC476357
0.8291 Intermediate Similarity NPC474057
0.8279 Intermediate Similarity NPC472708
0.8261 Intermediate Similarity NPC37914
0.814 Intermediate Similarity NPC82712
0.8017 Intermediate Similarity NPC471133
0.7934 Intermediate Similarity NPC196673
0.7931 Intermediate Similarity NPC315794
0.7917 Intermediate Similarity NPC471188
0.7907 Intermediate Similarity NPC472706
0.7891 Intermediate Similarity NPC152525
0.7891 Intermediate Similarity NPC68756
0.7881 Intermediate Similarity NPC211439
0.7874 Intermediate Similarity NPC223351
0.7863 Intermediate Similarity NPC321670
0.7857 Intermediate Similarity NPC472981
0.7812 Intermediate Similarity NPC228739
0.7805 Intermediate Similarity NPC9274
0.7803 Intermediate Similarity NPC72915
0.7769 Intermediate Similarity NPC66208
0.7761 Intermediate Similarity NPC314048
0.7761 Intermediate Similarity NPC310662
0.7752 Intermediate Similarity NPC234890
0.7752 Intermediate Similarity NPC74507
0.7752 Intermediate Similarity NPC12818
0.7731 Intermediate Similarity NPC249811
0.7727 Intermediate Similarity NPC262819
0.7724 Intermediate Similarity NPC186933
0.7704 Intermediate Similarity NPC474394
0.7687 Intermediate Similarity NPC110609
0.7687 Intermediate Similarity NPC242358
0.7687 Intermediate Similarity NPC246693
0.7674 Intermediate Similarity NPC472704
0.7672 Intermediate Similarity NPC289117
0.7638 Intermediate Similarity NPC470585
0.7619 Intermediate Similarity NPC318173
0.7612 Intermediate Similarity NPC233692
0.7607 Intermediate Similarity NPC25458
0.7607 Intermediate Similarity NPC304873
0.7597 Intermediate Similarity NPC472703
0.7594 Intermediate Similarity NPC49272
0.7591 Intermediate Similarity NPC315275
0.7581 Intermediate Similarity NPC215419
0.7581 Intermediate Similarity NPC474095
0.7576 Intermediate Similarity NPC115797
0.7576 Intermediate Similarity NPC472707
0.7576 Intermediate Similarity NPC51448
0.7574 Intermediate Similarity NPC23894
0.7574 Intermediate Similarity NPC474659
0.7571 Intermediate Similarity NPC477275
0.7571 Intermediate Similarity NPC106519
0.7571 Intermediate Similarity NPC91019
0.7557 Intermediate Similarity NPC131799
0.7557 Intermediate Similarity NPC478107
0.7557 Intermediate Similarity NPC236405
0.7557 Intermediate Similarity NPC470649
0.7556 Intermediate Similarity NPC58685
0.7556 Intermediate Similarity NPC70622
0.7554 Intermediate Similarity NPC242355
0.7542 Intermediate Similarity NPC247976
0.7541 Intermediate Similarity NPC265513
0.754 Intermediate Similarity NPC323440
0.754 Intermediate Similarity NPC80605
0.754 Intermediate Similarity NPC222968
0.7538 Intermediate Similarity NPC85511
0.7536 Intermediate Similarity NPC305060
0.7521 Intermediate Similarity NPC469481
0.7521 Intermediate Similarity NPC318327
0.752 Intermediate Similarity NPC135730
0.7519 Intermediate Similarity NPC293831
0.7519 Intermediate Similarity NPC269923
0.7519 Intermediate Similarity NPC369
0.7519 Intermediate Similarity NPC167323
0.7519 Intermediate Similarity NPC282923
0.7518 Intermediate Similarity NPC309056
0.75 Intermediate Similarity NPC227741
0.75 Intermediate Similarity NPC3224
0.75 Intermediate Similarity NPC115458
0.75 Intermediate Similarity NPC28836
0.75 Intermediate Similarity NPC295202
0.75 Intermediate Similarity NPC169616
0.75 Intermediate Similarity NPC234337
0.75 Intermediate Similarity NPC317280
0.75 Intermediate Similarity NPC133389
0.75 Intermediate Similarity NPC203486
0.75 Intermediate Similarity NPC81135
0.75 Intermediate Similarity NPC49647
0.75 Intermediate Similarity NPC329387
0.75 Intermediate Similarity NPC136342
0.75 Intermediate Similarity NPC183339
0.75 Intermediate Similarity NPC100767
0.75 Intermediate Similarity NPC311492
0.7481 Intermediate Similarity NPC173978
0.7481 Intermediate Similarity NPC41847
0.7481 Intermediate Similarity NPC239358
0.748 Intermediate Similarity NPC292834
0.7479 Intermediate Similarity NPC249067
0.7464 Intermediate Similarity NPC86524
0.7463 Intermediate Similarity NPC278928
0.7462 Intermediate Similarity NPC307174
0.7462 Intermediate Similarity NPC65627
0.746 Intermediate Similarity NPC158157
0.746 Intermediate Similarity NPC472862
0.746 Intermediate Similarity NPC212891
0.7445 Intermediate Similarity NPC477367
0.7445 Intermediate Similarity NPC232888
0.7445 Intermediate Similarity NPC212207
0.7442 Intermediate Similarity NPC190971
0.744 Intermediate Similarity NPC228936
0.744 Intermediate Similarity NPC93181
0.7436 Intermediate Similarity NPC217621
0.7429 Intermediate Similarity NPC473497
0.7426 Intermediate Similarity NPC309430
0.7426 Intermediate Similarity NPC472248
0.7422 Intermediate Similarity NPC476645
0.7419 Intermediate Similarity NPC13784
0.7419 Intermediate Similarity NPC306977
0.7419 Intermediate Similarity NPC470253
0.7419 Intermediate Similarity NPC287055
0.7419 Intermediate Similarity NPC242957
0.7419 Intermediate Similarity NPC206414
0.7417 Intermediate Similarity NPC208676
0.7417 Intermediate Similarity NPC471186
0.7417 Intermediate Similarity NPC130489
0.7415 Intermediate Similarity NPC477276
0.741 Intermediate Similarity NPC477592
0.7407 Intermediate Similarity NPC31799
0.7407 Intermediate Similarity NPC199253
0.7407 Intermediate Similarity NPC475741
0.7407 Intermediate Similarity NPC136588
0.7398 Intermediate Similarity NPC133308
0.7394 Intermediate Similarity NPC135524
0.7394 Intermediate Similarity NPC474961
0.7391 Intermediate Similarity NPC202729
0.7391 Intermediate Similarity NPC52523
0.7391 Intermediate Similarity NPC217673
0.7388 Intermediate Similarity NPC48248
0.7379 Intermediate Similarity NPC52161
0.7379 Intermediate Similarity NPC162751
0.7372 Intermediate Similarity NPC48929
0.7372 Intermediate Similarity NPC477368
0.7372 Intermediate Similarity NPC254603
0.7368 Intermediate Similarity NPC472047
0.7368 Intermediate Similarity NPC269598
0.7368 Intermediate Similarity NPC314690
0.7368 Intermediate Similarity NPC474106
0.7368 Intermediate Similarity NPC231774
0.7364 Intermediate Similarity NPC988
0.7364 Intermediate Similarity NPC473662
0.7364 Intermediate Similarity NPC216297
0.7364 Intermediate Similarity NPC289432
0.7364 Intermediate Similarity NPC238861
0.7364 Intermediate Similarity NPC77000
0.7364 Intermediate Similarity NPC7151
0.736 Intermediate Similarity NPC307651
0.736 Intermediate Similarity NPC474363
0.736 Intermediate Similarity NPC153053
0.7357 Intermediate Similarity NPC141368
0.7353 Intermediate Similarity NPC17083
0.7353 Intermediate Similarity NPC205992
0.7353 Intermediate Similarity NPC233860
0.735 Intermediate Similarity NPC229242
0.7348 Intermediate Similarity NPC142956
0.7344 Intermediate Similarity NPC41567
0.7339 Intermediate Similarity NPC321852
0.7338 Intermediate Similarity NPC27721
0.7338 Intermediate Similarity NPC272268
0.7333 Intermediate Similarity NPC272946
0.7333 Intermediate Similarity NPC99731
0.7333 Intermediate Similarity NPC474546
0.7329 Intermediate Similarity NPC106524
0.7329 Intermediate Similarity NPC290695
0.7328 Intermediate Similarity NPC282577
0.7328 Intermediate Similarity NPC475192
0.7324 Intermediate Similarity NPC305845
0.7324 Intermediate Similarity NPC204045
0.7324 Intermediate Similarity NPC45307
0.7323 Intermediate Similarity NPC477453
0.7319 Intermediate Similarity NPC202225
0.7319 Intermediate Similarity NPC52368
0.7319 Intermediate Similarity NPC161964
0.7319 Intermediate Similarity NPC474519
0.7319 Intermediate Similarity NPC218854
0.7319 Intermediate Similarity NPC200154
0.7319 Intermediate Similarity NPC472262
0.7319 Intermediate Similarity NPC287604
0.7313 Intermediate Similarity NPC19432
0.7311 Intermediate Similarity NPC284477
0.731 Intermediate Similarity NPC120536
0.7308 Intermediate Similarity NPC144547
0.7305 Intermediate Similarity NPC162939
0.7305 Intermediate Similarity NPC474303
0.7305 Intermediate Similarity NPC475413
0.7302 Intermediate Similarity NPC306740

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC133302 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
0.7833 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7769 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD6085 Phase 2
0.7634 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7479 Intermediate Similarity NPD1237 Approved
0.744 Intermediate Similarity NPD5951 Approved
0.7364 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD1470 Approved
0.7258 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD1201 Approved
0.7241 Intermediate Similarity NPD1693 Approved
0.7236 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD7009 Phase 2
0.7206 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD1929 Approved
0.7107 Intermediate Similarity NPD5765 Approved
0.7107 Intermediate Similarity NPD1930 Approved
0.7107 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD7236 Approved
0.7099 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD7008 Discontinued
0.7073 Intermediate Similarity NPD6685 Approved
0.7007 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2066 Phase 3
0.7 Intermediate Similarity NPD7610 Discontinued
0.698 Remote Similarity NPD7239 Suspended
0.697 Remote Similarity NPD2932 Approved
0.697 Remote Similarity NPD3019 Approved
0.6967 Remote Similarity NPD6647 Phase 2
0.696 Remote Similarity NPD2182 Approved
0.6947 Remote Similarity NPD7741 Discontinued
0.6923 Remote Similarity NPD405 Clinical (unspecified phase)
0.6917 Remote Similarity NPD9495 Approved
0.6911 Remote Similarity NPD164 Approved
0.6899 Remote Similarity NPD2629 Approved
0.6897 Remote Similarity NPD1086 Approved
0.6897 Remote Similarity NPD1089 Approved
0.6897 Remote Similarity NPD1090 Approved
0.6889 Remote Similarity NPD182 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6858 Approved
0.6875 Remote Similarity NPD7094 Approved
0.6857 Remote Similarity NPD6663 Approved
0.6846 Remote Similarity NPD3317 Approved
0.6821 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6818 Remote Similarity NPD3091 Approved
0.6815 Remote Similarity NPD4878 Approved
0.6812 Remote Similarity NPD5736 Approved
0.681 Remote Similarity NPD800 Approved
0.6806 Remote Similarity NPD5404 Approved
0.6806 Remote Similarity NPD5406 Approved
0.6806 Remote Similarity NPD5408 Approved
0.6806 Remote Similarity NPD5405 Approved
0.6797 Remote Similarity NPD1609 Clinical (unspecified phase)
0.678 Remote Similarity NPD1088 Approved
0.6779 Remote Similarity NPD2532 Approved
0.6779 Remote Similarity NPD2534 Approved
0.6779 Remote Similarity NPD2533 Approved
0.6772 Remote Similarity NPD1317 Discontinued
0.6767 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6002 Phase 3
0.6759 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6004 Phase 3
0.6759 Remote Similarity NPD6005 Phase 3
0.6759 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6752 Remote Similarity NPD9256 Approved
0.6752 Remote Similarity NPD9258 Approved
0.6748 Remote Similarity NPD1932 Approved
0.6741 Remote Similarity NPD3092 Approved
0.6739 Remote Similarity NPD5647 Approved
0.6738 Remote Similarity NPD7961 Discontinued
0.6736 Remote Similarity NPD7305 Phase 1
0.6733 Remote Similarity NPD6273 Approved
0.6723 Remote Similarity NPD5122 Clinical (unspecified phase)
0.672 Remote Similarity NPD5048 Discontinued
0.6716 Remote Similarity NPD3095 Discontinued
0.6715 Remote Similarity NPD1876 Approved
0.6711 Remote Similarity NPD7390 Discontinued
0.6708 Remote Similarity NPD7799 Discontinued
0.6694 Remote Similarity NPD3495 Discontinued
0.6693 Remote Similarity NPD2329 Discontinued
0.6667 Remote Similarity NPD6912 Phase 3
0.6667 Remote Similarity NPD688 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3026 Approved
0.6667 Remote Similarity NPD3094 Phase 2
0.6667 Remote Similarity NPD3023 Approved
0.6644 Remote Similarity NPD2346 Discontinued
0.6642 Remote Similarity NPD3024 Approved
0.6642 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6642 Remote Similarity NPD3025 Approved
0.6642 Remote Similarity NPD5157 Phase 1
0.6642 Remote Similarity NPD5159 Phase 2
0.6639 Remote Similarity NPD1508 Approved
0.6639 Remote Similarity NPD7631 Approved
0.6638 Remote Similarity NPD1087 Approved
0.6593 Remote Similarity NPD5125 Phase 3
0.6593 Remote Similarity NPD5126 Approved
0.6565 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6561 Remote Similarity NPD7058 Phase 2
0.6561 Remote Similarity NPD7057 Phase 3
0.6555 Remote Similarity NPD7609 Phase 3
0.6549 Remote Similarity NPD3764 Approved
0.6538 Remote Similarity NPD5760 Phase 2
0.6538 Remote Similarity NPD5761 Phase 2
0.6515 Remote Similarity NPD690 Clinical (unspecified phase)
0.651 Remote Similarity NPD4628 Phase 3
0.6507 Remote Similarity NPD2799 Discontinued
0.6496 Remote Similarity NPD650 Approved
0.6496 Remote Similarity NPD5618 Discontinued
0.6494 Remote Similarity NPD3226 Approved
0.6475 Remote Similarity NPD1283 Approved
0.6475 Remote Similarity NPD1843 Approved
0.6467 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6463 Remote Similarity NPD7137 Phase 2
0.6454 Remote Similarity NPD7084 Phase 3
0.6446 Remote Similarity NPD1202 Approved
0.6444 Remote Similarity NPD9545 Approved
0.6439 Remote Similarity NPD2650 Approved
0.6439 Remote Similarity NPD2652 Approved
0.6434 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6429 Remote Similarity NPD1164 Approved
0.6424 Remote Similarity NPD3300 Phase 2
0.6423 Remote Similarity NPD1564 Approved
0.6423 Remote Similarity NPD1566 Phase 3
0.6423 Remote Similarity NPD1565 Approved
0.6419 Remote Similarity NPD5763 Approved
0.6419 Remote Similarity NPD5762 Approved
0.6418 Remote Similarity NPD9493 Approved
0.6417 Remote Similarity NPD1239 Approved
0.6412 Remote Similarity NPD9508 Approved
0.641 Remote Similarity NPD9259 Approved
0.641 Remote Similarity NPD9257 Approved
0.64 Remote Similarity NPD7003 Approved
0.6397 Remote Similarity NPD1651 Approved
0.6395 Remote Similarity NPD651 Clinical (unspecified phase)
0.6389 Remote Similarity NPD7715 Approved
0.6389 Remote Similarity NPD7714 Approved
0.6387 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6385 Remote Similarity NPD2067 Discontinued
0.6383 Remote Similarity NPD2798 Approved
0.6377 Remote Similarity NPD6287 Discontinued
0.6376 Remote Similarity NPD970 Clinical (unspecified phase)
0.637 Remote Similarity NPD3528 Clinical (unspecified phase)
0.637 Remote Similarity NPD1607 Approved
0.6357 Remote Similarity NPD6406 Approved
0.6357 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6357 Remote Similarity NPD9263 Approved
0.6357 Remote Similarity NPD9267 Approved
0.6357 Remote Similarity NPD9264 Approved
0.635 Remote Similarity NPD4059 Approved
0.6345 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6345 Remote Similarity NPD943 Approved
0.6341 Remote Similarity NPD1989 Approved
0.632 Remote Similarity NPD1238 Approved
0.6319 Remote Similarity NPD2313 Discontinued
0.6316 Remote Similarity NPD6010 Discontinued
0.6311 Remote Similarity NPD845 Approved
0.6309 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6308 Remote Similarity NPD9266 Approved
0.6308 Remote Similarity NPD74 Approved
0.6304 Remote Similarity NPD4879 Approved
0.6296 Remote Similarity NPD6959 Discontinued
0.6294 Remote Similarity NPD7055 Discontinued
0.6293 Remote Similarity NPD9491 Approved
0.6291 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6289 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6284 Remote Similarity NPD1510 Phase 2
0.6277 Remote Similarity NPD1245 Approved
0.6275 Remote Similarity NPD8165 Discontinued
0.6269 Remote Similarity NPD4766 Approved
0.6268 Remote Similarity NPD4980 Approved
0.6259 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6259 Remote Similarity NPD1281 Approved
0.625 Remote Similarity NPD6966 Discovery
0.625 Remote Similarity NPD5909 Discontinued
0.6242 Remote Similarity NPD2935 Discontinued
0.6242 Remote Similarity NPD7473 Discontinued
0.6242 Remote Similarity NPD4380 Phase 2
0.6242 Remote Similarity NPD5712 Approved
0.6241 Remote Similarity NPD7635 Approved
0.6241 Remote Similarity NPD5277 Phase 2
0.6234 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6233 Remote Similarity NPD4140 Approved
0.6233 Remote Similarity NPD1240 Approved
0.6232 Remote Similarity NPD4626 Approved
0.6232 Remote Similarity NPD5305 Approved
0.6232 Remote Similarity NPD2345 Approved
0.6232 Remote Similarity NPD1362 Clinical (unspecified phase)
0.6232 Remote Similarity NPD5306 Approved
0.6226 Remote Similarity NPD7819 Suspended
0.6225 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6225 Remote Similarity NPD2800 Approved
0.6224 Remote Similarity NPD3662 Phase 3
0.6224 Remote Similarity NPD3664 Approved
0.6224 Remote Similarity NPD3663 Approved
0.6224 Remote Similarity NPD3661 Approved
0.6214 Remote Similarity NPD3972 Approved

Structure

External Identifiers

PubChem CID   44201981
ChEMBL   CHEMBL1864404
ZINC  

Physicochemical Properties

Molecular Weight:  250.12
ALogP:  -0.4795
MLogP:  2.56
XLogP:  0.08
# Rotatable Bonds:  8
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  18

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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