Natural Product: NPC476404

Natural Product ID:  NPC476404
Common Name:   8-Hydroxy-2-[(1R)-1-Hydroxyethyl]-Naphtho[2,3-B]Furan-4,9-Dione
IUPAC Name:   8-hydroxy-2-[(1R)-1-hydroxyethyl]benzo[f][1]benzofuran-4,9-dione
Synonyms:  
Molecular Formula:   C14H10O5
Standard InCHIKey:  CKCXAMWUYPZVFL-ZCFIWIBFSA-N
Standard InCHI:  InChI=1S/C14H10O5/c1-6(15)10-5-8-12(17)7-3-2-4-9(16)11(7)13(18)14(8)19-10/h2-6,15-16H,1H3/t6-/m1/s1
Canonical SMILES:  C[C@H](c1cc2c(o1)C(=O)c1c(C2=O)cccc1O)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
NPO487 Tabebuia avellanedae Species Bignoniaceae Eukaryota Brazil PMID[19674905]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 4.2 % 12880308
NPT2 Others Unspecified IC50 = 201100 nM 16499318
NPT80 Cell Line Raji Homo sapiens Activity = 60 % 16499318
NPT2 Others Unspecified Activity = 52.5 % 16499318
NPT2 Others Unspecified Activity = 76.3 % 16499318
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae MIC = 3.13 ug/ml 20537903
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 6.25 ug/ml 20403645
NPT3608 Organism Salmonella enteritidis Salmonella enterica subsp. enterica serovar Enteritidis MIC > 100 ug/ml 25856683
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 25856683
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 100 ug/ml 25856683
NPT3656 Organism Paecilomyces variotii Paecilomyces variotii MIC = 50 ug/ml 23987662
NPT3086 Organism Penicillium expansum Penicillium expansum MIC = 50 ug/ml 23987662
NPT2 Others Unspecified Activity = 20.4 % 18729518
NPT3658 Organism Bacillus mycoides Bacillus mycoides MIC = 1.56 ug/ml PubChem BioAssay data set
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 1.56 ug/ml PubChem BioAssay data set
NPT3657 Organism Cryptococcus albidus Cryptococcus albidus MIC = 1.56 ug/ml 24087924
NPT20 Organism Candida albicans Candida albicans MIC = 25 ug/ml 24099364
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus MIC = 25 ug/ml 24099364

  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 NPC476404 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 NPC317900
1.0 High Similarity NPC294300
0.9867 High Similarity NPC217602
0.9867 High Similarity NPC104380
0.9867 High Similarity NPC473282
0.9664 High Similarity NPC471613
0.94 High Similarity NPC226578
0.9396 High Similarity NPC252208
0.9333 High Similarity NPC280025
0.8931 High Similarity NPC269117
0.8792 High Similarity NPC265181
0.8773 High Similarity NPC186392
0.8688 High Similarity NPC228501
0.8671 High Similarity NPC42458
0.8671 High Similarity NPC158261
0.8659 High Similarity NPC95715
0.8659 High Similarity NPC44602
0.8645 High Similarity NPC469425
0.8625 High Similarity NPC10051
0.8625 High Similarity NPC299094
0.8608 High Similarity NPC275878
0.8562 High Similarity NPC478223
0.8554 High Similarity NPC313717
0.8554 High Similarity NPC28042
0.8554 High Similarity NPC315306
0.8553 High Similarity NPC88958
0.8553 High Similarity NPC290927
0.8529 High Similarity NPC475996
0.8519 High Similarity NPC472961
0.8519 High Similarity NPC472962
0.8487 Intermediate Similarity NPC477408
0.8485 Intermediate Similarity NPC53640
0.8476 Intermediate Similarity NPC472581
0.8466 Intermediate Similarity NPC478134
0.8466 Intermediate Similarity NPC472780
0.8466 Intermediate Similarity NPC472783
0.8466 Intermediate Similarity NPC24761
0.8452 Intermediate Similarity NPC277510
0.8452 Intermediate Similarity NPC469385
0.8452 Intermediate Similarity NPC477409
0.8438 Intermediate Similarity NPC179170
0.8438 Intermediate Similarity NPC84721
0.8428 Intermediate Similarity NPC115324
0.8415 Intermediate Similarity NPC219861
0.8415 Intermediate Similarity NPC193998
0.8412 Intermediate Similarity NPC5671
0.8405 Intermediate Similarity NPC472782
0.8405 Intermediate Similarity NPC472781
0.8405 Intermediate Similarity NPC470810
0.8405 Intermediate Similarity NPC313368
0.8395 Intermediate Similarity NPC96342
0.8395 Intermediate Similarity NPC164110
0.8395 Intermediate Similarity NPC246647
0.8395 Intermediate Similarity NPC212967
0.8385 Intermediate Similarity NPC148938
0.8385 Intermediate Similarity NPC268008
0.8383 Intermediate Similarity NPC202470
0.8375 Intermediate Similarity NPC60211
0.8375 Intermediate Similarity NPC207624
0.8373 Intermediate Similarity NPC191012
0.8372 Intermediate Similarity NPC228209
0.8366 Intermediate Similarity NPC114620
0.8366 Intermediate Similarity NPC103337
0.8364 Intermediate Similarity NPC1706
0.8364 Intermediate Similarity NPC39305
0.8364 Intermediate Similarity NPC109180
0.8364 Intermediate Similarity NPC59295
0.8364 Intermediate Similarity NPC1755
0.8364 Intermediate Similarity NPC263092
0.8354 Intermediate Similarity NPC96031
0.8354 Intermediate Similarity NPC45124
0.8354 Intermediate Similarity NPC74854
0.8354 Intermediate Similarity NPC218569
0.8354 Intermediate Similarity NPC30655
0.8344 Intermediate Similarity NPC476349
0.8344 Intermediate Similarity NPC476350
0.8343 Intermediate Similarity NPC30550
0.8333 Intermediate Similarity NPC221992
0.8333 Intermediate Similarity NPC180924
0.8323 Intermediate Similarity NPC476459
0.8323 Intermediate Similarity NPC235333
0.8313 Intermediate Similarity NPC314653
0.8313 Intermediate Similarity NPC58668
0.8313 Intermediate Similarity NPC193976
0.8313 Intermediate Similarity NPC472784
0.8313 Intermediate Similarity NPC136641
0.8313 Intermediate Similarity NPC145830
0.8313 Intermediate Similarity NPC474772
0.8313 Intermediate Similarity NPC106372
0.8313 Intermediate Similarity NPC472423
0.8313 Intermediate Similarity NPC23668
0.8313 Intermediate Similarity NPC316262
0.8313 Intermediate Similarity NPC472049
0.8313 Intermediate Similarity NPC474744
0.8312 Intermediate Similarity NPC477537
0.8303 Intermediate Similarity NPC272722
0.8303 Intermediate Similarity NPC238995
0.8302 Intermediate Similarity NPC478219
0.8294 Intermediate Similarity NPC289244
0.8293 Intermediate Similarity NPC304839
0.8293 Intermediate Similarity NPC220582
0.8291 Intermediate Similarity NPC478018
0.8291 Intermediate Similarity NPC21835
0.8289 Intermediate Similarity NPC232996
0.8289 Intermediate Similarity NPC141934
0.8282 Intermediate Similarity NPC477833
0.828 Intermediate Similarity NPC73416
0.828 Intermediate Similarity NPC98926
0.828 Intermediate Similarity NPC160777
0.8274 Intermediate Similarity NPC473096
0.8274 Intermediate Similarity NPC473095
0.8272 Intermediate Similarity NPC213936
0.8272 Intermediate Similarity NPC297531
0.8272 Intermediate Similarity NPC80489
0.8266 Intermediate Similarity NPC8927
0.8263 Intermediate Similarity NPC472895
0.8263 Intermediate Similarity NPC477517
0.8261 Intermediate Similarity NPC35567
0.8261 Intermediate Similarity NPC142308
0.8261 Intermediate Similarity NPC253872
0.8261 Intermediate Similarity NPC243171
0.8261 Intermediate Similarity NPC171651
0.8261 Intermediate Similarity NPC67654
0.8256 Intermediate Similarity NPC104682
0.8253 Intermediate Similarity NPC476931
0.8253 Intermediate Similarity NPC475779
0.8253 Intermediate Similarity NPC472582
0.825 Intermediate Similarity NPC202595
0.825 Intermediate Similarity NPC267117
0.825 Intermediate Similarity NPC472421
0.8242 Intermediate Similarity NPC476929
0.8239 Intermediate Similarity NPC295436
0.8235 Intermediate Similarity NPC154986
0.8235 Intermediate Similarity NPC98776
0.8232 Intermediate Similarity NPC287559
0.8232 Intermediate Similarity NPC477410
0.8229 Intermediate Similarity NPC240808
0.8228 Intermediate Similarity NPC300540
0.8228 Intermediate Similarity NPC1940
0.8228 Intermediate Similarity NPC471346
0.8228 Intermediate Similarity NPC148011
0.8221 Intermediate Similarity NPC472461
0.8221 Intermediate Similarity NPC160015
0.8221 Intermediate Similarity NPC247677
0.8214 Intermediate Similarity NPC473094
0.8214 Intermediate Similarity NPC150131
0.8214 Intermediate Similarity NPC241820
0.8214 Intermediate Similarity NPC247973
0.821 Intermediate Similarity NPC303950
0.821 Intermediate Similarity NPC27532
0.821 Intermediate Similarity NPC301233
0.821 Intermediate Similarity NPC256346
0.821 Intermediate Similarity NPC203080
0.821 Intermediate Similarity NPC474000
0.821 Intermediate Similarity NPC293286
0.821 Intermediate Similarity NPC246328
0.821 Intermediate Similarity NPC325028
0.8204 Intermediate Similarity NPC45449
0.8204 Intermediate Similarity NPC36320
0.82 Intermediate Similarity NPC205360
0.8199 Intermediate Similarity NPC262038
0.8199 Intermediate Similarity NPC319910
0.8199 Intermediate Similarity NPC262039
0.8199 Intermediate Similarity NPC175617
0.8199 Intermediate Similarity NPC170169
0.8199 Intermediate Similarity NPC254412
0.8199 Intermediate Similarity NPC302783
0.8199 Intermediate Similarity NPC471229
0.8199 Intermediate Similarity NPC278476
0.8199 Intermediate Similarity NPC156244
0.8199 Intermediate Similarity NPC473201
0.8198 Intermediate Similarity NPC77179
0.8198 Intermediate Similarity NPC23553
0.8194 Intermediate Similarity NPC477535
0.8193 Intermediate Similarity NPC212099
0.8193 Intermediate Similarity NPC101116
0.8193 Intermediate Similarity NPC478229
0.8193 Intermediate Similarity NPC211107
0.8193 Intermediate Similarity NPC472402
0.8193 Intermediate Similarity NPC278329
0.8193 Intermediate Similarity NPC146837
0.8192 Intermediate Similarity NPC60848
0.8187 Intermediate Similarity NPC277032
0.8187 Intermediate Similarity NPC287243
0.8187 Intermediate Similarity NPC245975
0.8182 Intermediate Similarity NPC284495
0.8182 Intermediate Similarity NPC173980
0.8182 Intermediate Similarity NPC98395
0.8182 Intermediate Similarity NPC243701
0.8182 Intermediate Similarity NPC306978
0.8182 Intermediate Similarity NPC472902
0.8176 Intermediate Similarity NPC176869
0.8176 Intermediate Similarity NPC472584
0.8176 Intermediate Similarity NPC40086
0.8176 Intermediate Similarity NPC230619
0.8176 Intermediate Similarity NPC3779
0.8176 Intermediate Similarity NPC211466
0.8176 Intermediate Similarity NPC476182
0.8176 Intermediate Similarity NPC17816
0.8176 Intermediate Similarity NPC118128

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476404 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
0.8792 High Similarity NPD1471 Phase 3
0.8301 Intermediate Similarity NPD2344 Approved
0.8221 Intermediate Similarity NPD3882 Suspended
0.8187 Intermediate Similarity NPD3226 Approved
0.8089 Intermediate Similarity NPD2309 Approved
0.8024 Intermediate Similarity NPD1247 Approved
0.8 Intermediate Similarity NPD8434 Phase 2
0.7952 Intermediate Similarity NPD7075 Discontinued
0.7927 Intermediate Similarity NPD1934 Approved
0.7879 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD2346 Discontinued
0.7826 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD6801 Discontinued
0.7816 Intermediate Similarity NPD6559 Discontinued
0.7805 Intermediate Similarity NPD4380 Phase 2
0.7805 Intermediate Similarity NPD6599 Discontinued
0.7799 Intermediate Similarity NPD4628 Phase 3
0.7791 Intermediate Similarity NPD3818 Discontinued
0.7785 Intermediate Similarity NPD1549 Phase 2
0.7778 Intermediate Similarity NPD1512 Approved
0.7778 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6166 Phase 2
0.7764 Intermediate Similarity NPD6799 Approved
0.7725 Intermediate Similarity NPD5402 Approved
0.7722 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD3926 Phase 2
0.7692 Intermediate Similarity NPD919 Approved
0.7688 Intermediate Similarity NPD3751 Discontinued
0.7682 Intermediate Similarity NPD1470 Approved
0.7665 Intermediate Similarity NPD2801 Approved
0.7665 Intermediate Similarity NPD7819 Suspended
0.7654 Intermediate Similarity NPD1511 Approved
0.7647 Intermediate Similarity NPD5494 Approved
0.7644 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD3749 Approved
0.7625 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD3817 Phase 2
0.7619 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD2532 Approved
0.7607 Intermediate Similarity NPD2534 Approved
0.7607 Intermediate Similarity NPD2533 Approved
0.7602 Intermediate Similarity NPD6959 Discontinued
0.7595 Intermediate Similarity NPD1510 Phase 2
0.7588 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD1607 Approved
0.7564 Intermediate Similarity NPD1240 Approved
0.7558 Intermediate Similarity NPD6232 Discontinued
0.7557 Intermediate Similarity NPD6797 Phase 2
0.7529 Intermediate Similarity NPD7473 Discontinued
0.7528 Intermediate Similarity NPD8313 Approved
0.7528 Intermediate Similarity NPD8312 Approved
0.7516 Intermediate Similarity NPD2800 Approved
0.7515 Intermediate Similarity NPD920 Approved
0.7515 Intermediate Similarity NPD2296 Approved
0.7515 Intermediate Similarity NPD5403 Approved
0.7514 Intermediate Similarity NPD7251 Discontinued
0.75 Intermediate Similarity NPD5401 Approved
0.7484 Intermediate Similarity NPD2799 Discontinued
0.7484 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD7808 Phase 3
0.7472 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD4060 Phase 1
0.7443 Intermediate Similarity NPD5844 Phase 1
0.744 Intermediate Similarity NPD7411 Suspended
0.7438 Intermediate Similarity NPD2796 Approved
0.7438 Intermediate Similarity NPD2935 Discontinued
0.7436 Intermediate Similarity NPD2313 Discontinued
0.7433 Intermediate Similarity NPD6777 Approved
0.7433 Intermediate Similarity NPD6779 Approved
0.7433 Intermediate Similarity NPD6780 Approved
0.7433 Intermediate Similarity NPD6781 Approved
0.7433 Intermediate Similarity NPD6782 Approved
0.7433 Intermediate Similarity NPD6776 Approved
0.7433 Intermediate Similarity NPD6778 Approved
0.7417 Intermediate Similarity NPD1201 Approved
0.7417 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD7435 Discontinued
0.7405 Intermediate Similarity NPD6355 Discontinued
0.7401 Intermediate Similarity NPD7074 Phase 3
0.7394 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD5763 Approved
0.7391 Intermediate Similarity NPD5762 Approved
0.7386 Intermediate Similarity NPD2163 Approved
0.7368 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD6808 Phase 2
0.7356 Intermediate Similarity NPD3787 Discontinued
0.7353 Intermediate Similarity NPD5761 Phase 2
0.7353 Intermediate Similarity NPD5760 Phase 2
0.7345 Intermediate Similarity NPD7054 Approved
0.7329 Intermediate Similarity NPD1551 Phase 2
0.7322 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD6765 Approved
0.7318 Intermediate Similarity NPD6764 Approved
0.7308 Intermediate Similarity NPD8150 Discontinued
0.7303 Intermediate Similarity NPD7472 Approved
0.7301 Intermediate Similarity NPD1243 Approved
0.7296 Intermediate Similarity NPD447 Suspended
0.7294 Intermediate Similarity NPD6279 Approved
0.7294 Intermediate Similarity NPD6280 Approved
0.7289 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD3750 Approved
0.7253 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD1465 Phase 2
0.7246 Intermediate Similarity NPD6273 Approved
0.7233 Intermediate Similarity NPD943 Approved
0.7226 Intermediate Similarity NPD1203 Approved
0.7225 Intermediate Similarity NPD7698 Approved
0.7225 Intermediate Similarity NPD7696 Phase 3
0.7225 Intermediate Similarity NPD7697 Approved
0.7219 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD6798 Discontinued
0.7188 Intermediate Similarity NPD7871 Phase 2
0.7188 Intermediate Similarity NPD7870 Phase 2
0.7179 Intermediate Similarity NPD7874 Approved
0.7179 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD6534 Approved
0.7166 Intermediate Similarity NPD6535 Approved
0.7165 Intermediate Similarity NPD7701 Phase 2
0.7161 Intermediate Similarity NPD1876 Approved
0.7158 Intermediate Similarity NPD6784 Approved
0.7158 Intermediate Similarity NPD6785 Approved
0.7152 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1608 Approved
0.7134 Intermediate Similarity NPD9494 Approved
0.7133 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD2649 Approved
0.7118 Intermediate Similarity NPD2651 Approved
0.7108 Intermediate Similarity NPD2354 Approved
0.7107 Intermediate Similarity NPD3764 Approved
0.7093 Intermediate Similarity NPD6844 Discontinued
0.7086 Intermediate Similarity NPD9092 Discovery
0.7083 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4661 Approved
0.7083 Intermediate Similarity NPD4662 Approved
0.7081 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD2798 Approved
0.7069 Intermediate Similarity NPD7768 Phase 2
0.7068 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD5710 Approved
0.7062 Intermediate Similarity NPD5711 Approved
0.7056 Intermediate Similarity NPD7801 Approved
0.7055 Intermediate Similarity NPD7033 Discontinued
0.7053 Intermediate Similarity NPD7700 Phase 2
0.7053 Intermediate Similarity NPD7699 Phase 2
0.7032 Intermediate Similarity NPD3972 Approved
0.7032 Intermediate Similarity NPD9717 Approved
0.7022 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7458 Discontinued
0.701 Intermediate Similarity NPD8319 Approved
0.701 Intermediate Similarity NPD8320 Phase 1
0.7006 Intermediate Similarity NPD3887 Approved
0.7006 Intermediate Similarity NPD6190 Approved
0.7 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD411 Approved
0.7 Intermediate Similarity NPD3268 Approved
0.6995 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6994 Remote Similarity NPD37 Approved
0.6989 Remote Similarity NPD6234 Discontinued
0.6983 Remote Similarity NPD2403 Approved
0.6982 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6981 Remote Similarity NPD6832 Phase 2
0.6978 Remote Similarity NPD5953 Discontinued
0.6971 Remote Similarity NPD4967 Phase 2
0.6971 Remote Similarity NPD4966 Approved
0.6971 Remote Similarity NPD4965 Approved
0.6964 Remote Similarity NPD3300 Phase 2
0.6957 Remote Similarity NPD6233 Phase 2
0.6951 Remote Similarity NPD3748 Approved
0.6948 Remote Similarity NPD17 Approved
0.6943 Remote Similarity NPD1283 Approved
0.6941 Remote Similarity NPD5049 Phase 3
0.6928 Remote Similarity NPD2424 Discontinued
0.6923 Remote Similarity NPD7390 Discontinued
0.6923 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6914 Remote Similarity NPD1613 Approved
0.6914 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6914 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6911 Remote Similarity NPD8090 Clinical (unspecified phase)
0.691 Remote Similarity NPD8127 Discontinued
0.691 Remote Similarity NPD7199 Phase 2
0.6909 Remote Similarity NPD6099 Approved
0.6909 Remote Similarity NPD6100 Approved
0.6907 Remote Similarity NPD3057 Approved
0.6907 Remote Similarity NPD6823 Phase 2
0.6906 Remote Similarity NPD7177 Discontinued
0.6886 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6883 Remote Similarity NPD1651 Approved

Structure

External Identifiers

PubChem CID   14159820
ChEMBL   CHEMBL596002
ZINC  

Physicochemical Properties

Molecular Weight:  258.05
ALogP:  -1.6014
MLogP:  2.45
XLogP:  0.702
# Rotatable Bonds:  4
Polar Surface Area:  87.74
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

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