Natural Product: NPC55529

Natural Product ID:  NPC55529
Common Name:   2-Methylisoindole-1,3-Dione
IUPAC Name:   2-methylisoindole-1,3-dione
Synonyms:  
Molecular Formula:   C9H7NO2
Standard InCHIKey:  ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
Canonical SMILES:  CN1C(=O)c2c(C1=O)cccc2
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
NPO2921 Angelica acutiloba Species Apiaceae Eukaryota TM-MC*
NPO11438 Angelica gigas Species Apiaceae Eukaryota TM-MC*
NPO15462 Angelica sinensis Species Apiaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 21872.4 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 8707.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7693.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43277.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 87.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1722.4 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 34376.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 243.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2169 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 4326.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 54941 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27298.3 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 21872.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48544.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 21872.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 48557.7 nM PubChem BioAssay data set
NPT162 Individual Protein Heat shock protein beta-1 Homo sapiens Potency 76937.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15355.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 30637.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 6164.5 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 138 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61130.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 76958.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 616.4 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 1412.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24541.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19331.2 nM PubChem BioAssay data set
NPT2 Others Unspecified AC50 1258.9 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 NPC55529 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
0.7981 Intermediate Similarity NPC256452
0.7876 Intermediate Similarity NPC181390
0.7714 Intermediate Similarity NPC71140
0.7619 Intermediate Similarity NPC473962
0.7419 Intermediate Similarity NPC79698
0.7383 Intermediate Similarity NPC474974
0.7154 Intermediate Similarity NPC27833
0.7143 Intermediate Similarity NPC17497
0.7143 Intermediate Similarity NPC305602
0.7132 Intermediate Similarity NPC126458
0.713 Intermediate Similarity NPC473661
0.712 Intermediate Similarity NPC254698
0.7087 Intermediate Similarity NPC215008
0.7054 Intermediate Similarity NPC179224
0.7043 Intermediate Similarity NPC167336
0.6981 Remote Similarity NPC43945
0.6923 Remote Similarity NPC39600
0.6923 Remote Similarity NPC104070
0.6916 Remote Similarity NPC157778
0.6909 Remote Similarity NPC246757
0.6909 Remote Similarity NPC291070
0.6897 Remote Similarity NPC473418
0.6897 Remote Similarity NPC476198
0.6863 Remote Similarity NPC300205
0.686 Remote Similarity NPC57051
0.6842 Remote Similarity NPC162417
0.6842 Remote Similarity NPC316104
0.6838 Remote Similarity NPC45033
0.6818 Remote Similarity NPC207428
0.68 Remote Similarity NPC291962
0.68 Remote Similarity NPC177684
0.6796 Remote Similarity NPC164086
0.6789 Remote Similarity NPC173413
0.6765 Remote Similarity NPC2785
0.6765 Remote Similarity NPC285470
0.6765 Remote Similarity NPC36342
0.6752 Remote Similarity NPC143516
0.6746 Remote Similarity NPC112373
0.6746 Remote Similarity NPC161956
0.6746 Remote Similarity NPC258531
0.6729 Remote Similarity NPC307
0.6729 Remote Similarity NPC160339
0.6727 Remote Similarity NPC284475
0.6716 Remote Similarity NPC266425
0.6715 Remote Similarity NPC315051
0.6695 Remote Similarity NPC474804
0.6695 Remote Similarity NPC474973
0.6695 Remote Similarity NPC130898
0.6693 Remote Similarity NPC257490
0.6692 Remote Similarity NPC322433
0.6691 Remote Similarity NPC122553
0.6667 Remote Similarity NPC59677
0.6667 Remote Similarity NPC188844
0.6667 Remote Similarity NPC187231
0.6667 Remote Similarity NPC1682
0.6667 Remote Similarity NPC155232
0.6667 Remote Similarity NPC192533
0.6667 Remote Similarity NPC226143
0.6667 Remote Similarity NPC471164
0.6667 Remote Similarity NPC245966
0.6636 Remote Similarity NPC19256
0.6635 Remote Similarity NPC190567
0.6634 Remote Similarity NPC98976
0.6609 Remote Similarity NPC75496
0.6607 Remote Similarity NPC238219
0.6607 Remote Similarity NPC289883
0.6606 Remote Similarity NPC153308
0.6604 Remote Similarity NPC474088
0.6583 Remote Similarity NPC473676
0.6579 Remote Similarity NPC472258
0.6577 Remote Similarity NPC133461
0.6571 Remote Similarity NPC145053
0.6571 Remote Similarity NPC73978
0.6569 Remote Similarity NPC271642
0.656 Remote Similarity NPC285926
0.656 Remote Similarity NPC315276
0.656 Remote Similarity NPC14672
0.6555 Remote Similarity NPC471447
0.6545 Remote Similarity NPC113307
0.6522 Remote Similarity NPC322598
0.6518 Remote Similarity NPC153885
0.65 Remote Similarity NPC172170
0.6496 Remote Similarity NPC329375
0.6489 Remote Similarity NPC472244
0.6489 Remote Similarity NPC470343
0.6486 Remote Similarity NPC277277
0.6484 Remote Similarity NPC200964
0.6481 Remote Similarity NPC252067
0.648 Remote Similarity NPC473573
0.6476 Remote Similarity NPC71664
0.6455 Remote Similarity NPC267262
0.6452 Remote Similarity NPC35850
0.6452 Remote Similarity NPC276949
0.6449 Remote Similarity NPC273758
0.6449 Remote Similarity NPC197581
0.6441 Remote Similarity NPC202613
0.6429 Remote Similarity NPC470926
0.6423 Remote Similarity NPC475013
0.6422 Remote Similarity NPC164526
0.6422 Remote Similarity NPC258046
0.6415 Remote Similarity NPC273033
0.6415 Remote Similarity NPC100039
0.6415 Remote Similarity NPC12936
0.6408 Remote Similarity NPC78500
0.6404 Remote Similarity NPC260233
0.6403 Remote Similarity NPC469560
0.64 Remote Similarity NPC33742
0.64 Remote Similarity NPC246904
0.64 Remote Similarity NPC113099
0.6396 Remote Similarity NPC325709
0.6396 Remote Similarity NPC418308
0.6393 Remote Similarity NPC158854
0.6385 Remote Similarity NPC26285
0.6385 Remote Similarity NPC39818
0.6379 Remote Similarity NPC49994
0.6379 Remote Similarity NPC75724
0.6379 Remote Similarity NPC134882
0.6364 Remote Similarity NPC69057
0.6364 Remote Similarity NPC53492
0.6357 Remote Similarity NPC207554
0.6357 Remote Similarity NPC279385
0.6357 Remote Similarity NPC179605
0.6356 Remote Similarity NPC45613
0.6343 Remote Similarity NPC150863
0.6343 Remote Similarity NPC213969
0.6343 Remote Similarity NPC165726
0.6343 Remote Similarity NPC209389
0.6339 Remote Similarity NPC58872
0.6324 Remote Similarity NPC40364
0.632 Remote Similarity NPC476048
0.6319 Remote Similarity NPC324445
0.6319 Remote Similarity NPC246412
0.6308 Remote Similarity NPC103292
0.6306 Remote Similarity NPC475427
0.6304 Remote Similarity NPC300299
0.6303 Remote Similarity NPC471317
0.6299 Remote Similarity NPC239357
0.6296 Remote Similarity NPC324624
0.6296 Remote Similarity NPC472245
0.6296 Remote Similarity NPC314431
0.6296 Remote Similarity NPC280807
0.6296 Remote Similarity NPC149263
0.6293 Remote Similarity NPC156021
0.6293 Remote Similarity NPC265220
0.6293 Remote Similarity NPC239185
0.6286 Remote Similarity NPC76455
0.6286 Remote Similarity NPC12857
0.6286 Remote Similarity NPC137847
0.6283 Remote Similarity NPC103346
0.6275 Remote Similarity NPC285679
0.6271 Remote Similarity NPC112552
0.6271 Remote Similarity NPC109514
0.6271 Remote Similarity NPC476993
0.6262 Remote Similarity NPC231986
0.626 Remote Similarity NPC268348
0.625 Remote Similarity NPC38262
0.625 Remote Similarity NPC120251
0.625 Remote Similarity NPC313850
0.6239 Remote Similarity NPC229242
0.6228 Remote Similarity NPC323420
0.6218 Remote Similarity NPC320891
0.6218 Remote Similarity NPC222390
0.6218 Remote Similarity NPC244427
0.6212 Remote Similarity NPC175726
0.6212 Remote Similarity NPC474082
0.6207 Remote Similarity NPC185208
0.6207 Remote Similarity NPC219573
0.6202 Remote Similarity NPC220698
0.619 Remote Similarity NPC329318
0.6176 Remote Similarity NPC74458
0.6174 Remote Similarity NPC119669
0.6174 Remote Similarity NPC322040
0.617 Remote Similarity NPC238412
0.6168 Remote Similarity NPC285716
0.6168 Remote Similarity NPC17408
0.6167 Remote Similarity NPC89886
0.6167 Remote Similarity NPC274443
0.6161 Remote Similarity NPC473345
0.6148 Remote Similarity NPC473498
0.6148 Remote Similarity NPC30594
0.6148 Remote Similarity NPC37622
0.6143 Remote Similarity NPC471123
0.6138 Remote Similarity NPC125852
0.6136 Remote Similarity NPC268534
0.6134 Remote Similarity NPC282895
0.6134 Remote Similarity NPC472879
0.6131 Remote Similarity NPC314098
0.6129 Remote Similarity NPC114637
0.6127 Remote Similarity NPC130251
0.6121 Remote Similarity NPC472880
0.6116 Remote Similarity NPC329282
0.6116 Remote Similarity NPC31786
0.6107 Remote Similarity NPC302169
0.6103 Remote Similarity NPC473322
0.6094 Remote Similarity NPC160179
0.6091 Remote Similarity NPC169016
0.609 Remote Similarity NPC6975
0.6084 Remote Similarity NPC301760
0.6084 Remote Similarity NPC470301
0.6084 Remote Similarity NPC471574

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC55529 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
0.8627 High Similarity NPD466 Approved
0.8544 High Similarity NPD742 Approved
0.8381 Intermediate Similarity NPD813 Approved
0.8103 Intermediate Similarity NPD1217 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD941 Approved
0.775 Intermediate Similarity NPD518 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD1323 Discontinued
0.7561 Intermediate Similarity NPD1482 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD2196 Discontinued
0.7523 Intermediate Similarity NPD787 Suspended
0.75 Intermediate Similarity NPD1100 Approved
0.75 Intermediate Similarity NPD1099 Approved
0.75 Intermediate Similarity NPD2192 Approved
0.75 Intermediate Similarity NPD2197 Approved
0.7402 Intermediate Similarity NPD2754 Discontinued
0.7387 Intermediate Similarity NPD4803 Discontinued
0.7373 Intermediate Similarity NPD853 Approved
0.7373 Intermediate Similarity NPD851 Approved
0.736 Intermediate Similarity NPD3244 Pre-registration
0.736 Intermediate Similarity NPD3245 Phase 3
0.7345 Intermediate Similarity NPD1677 Discontinued
0.7339 Intermediate Similarity NPD3547 Approved
0.7339 Intermediate Similarity NPD3549 Approved
0.7339 Intermediate Similarity NPD3550 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD1025 Discontinued
0.7288 Intermediate Similarity NPD1175 Approved
0.7239 Intermediate Similarity NPD2365 Approved
0.7232 Intermediate Similarity NPD2171 Approved
0.7227 Intermediate Similarity NPD3551 Approved
0.7209 Intermediate Similarity NPD2846 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD480 Approved
0.7193 Intermediate Similarity NPD1766 Approved
0.7193 Intermediate Similarity NPD1763 Approved
0.7193 Intermediate Similarity NPD1761 Approved
0.7193 Intermediate Similarity NPD1765 Approved
0.7193 Intermediate Similarity NPD1767 Approved
0.7185 Intermediate Similarity NPD2820 Phase 3
0.7168 Intermediate Similarity NPD3357 Discontinued
0.7143 Intermediate Similarity NPD3598 Phase 3
0.7119 Intermediate Similarity NPD753 Approved
0.7097 Intermediate Similarity NPD1123 Approved
0.7097 Intermediate Similarity NPD1124 Approved
0.7091 Intermediate Similarity NPD157 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD5653 Discontinued
0.708 Intermediate Similarity NPD2648 Phase 3
0.708 Intermediate Similarity NPD2193 Phase 2
0.7068 Intermediate Similarity NPD743 Approved
0.7054 Intermediate Similarity NPD3063 Discontinued
0.7049 Intermediate Similarity NPD5991 Approved
0.7049 Intermediate Similarity NPD5990 Approved
0.704 Intermediate Similarity NPD3624 Phase 2
0.7037 Intermediate Similarity NPD2010 Phase 3
0.7008 Intermediate Similarity NPD6792 Phase 3
0.7008 Intermediate Similarity NPD2634 Clinical (unspecified phase)
0.6992 Remote Similarity NPD6345 Approved
0.6992 Remote Similarity NPD6343 Approved
0.6981 Remote Similarity NPD650 Approved
0.6952 Remote Similarity NPD9505 Clinical (unspecified phase)
0.6949 Remote Similarity NPD3581 Discontinued
0.694 Remote Similarity NPD4705 Clinical (unspecified phase)
0.694 Remote Similarity NPD7541 Clinical (unspecified phase)
0.6911 Remote Similarity NPD997 Clinical (unspecified phase)
0.6847 Remote Similarity NPD4094 Approved
0.6846 Remote Similarity NPD1781 Discontinued
0.6842 Remote Similarity NPD5630 Phase 1
0.6838 Remote Similarity NPD1065 Approved
0.6838 Remote Similarity NPD1064 Approved
0.6835 Remote Similarity NPD8239 Clinical (unspecified phase)
0.6833 Remote Similarity NPD2124 Approved
0.681 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6809 Remote Similarity NPD979 Approved
0.6803 Remote Similarity NPD2508 Discontinued
0.6797 Remote Similarity NPD9539 Approved
0.6797 Remote Similarity NPD9541 Approved
0.6786 Remote Similarity NPD1524 Phase 1
0.6786 Remote Similarity NPD1956 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6588 Clinical (unspecified phase)
0.6767 Remote Similarity NPD6740 Clinical (unspecified phase)
0.6759 Remote Similarity NPD951 Approved
0.6752 Remote Similarity NPD959 Discontinued
0.6746 Remote Similarity NPD5836 Discontinued
0.6741 Remote Similarity NPD7192 Discontinued
0.6739 Remote Similarity NPD6768 Approved
0.6727 Remote Similarity NPD7609 Phase 3
0.6726 Remote Similarity NPD4657 Approved
0.6726 Remote Similarity NPD4655 Approved
0.6718 Remote Similarity NPD1050 Approved
0.6714 Remote Similarity NPD6485 Discontinued
0.6694 Remote Similarity NPD7679 Phase 2
0.6694 Remote Similarity NPD1344 Phase 2
0.6693 Remote Similarity NPD1079 Discontinued
0.6692 Remote Similarity NPD1321 Clinical (unspecified phase)
0.6692 Remote Similarity NPD9540 Approved
0.6667 Remote Similarity NPD3867 Phase 2
0.6667 Remote Similarity NPD7631 Approved
0.6667 Remote Similarity NPD603 Approved
0.6667 Remote Similarity NPD1508 Approved
0.6642 Remote Similarity NPD7578 Phase 2
0.6641 Remote Similarity NPD4478 Clinical (unspecified phase)
0.6638 Remote Similarity NPD6024 Approved
0.6638 Remote Similarity NPD6027 Approved
0.6635 Remote Similarity NPD5372 Approved
0.6635 Remote Similarity NPD5371 Approved
0.6621 Remote Similarity NPD2790 Discontinued
0.662 Remote Similarity NPD8165 Discontinued
0.6619 Remote Similarity NPD6566 Discontinued
0.6618 Remote Similarity NPD5227 Clinical (unspecified phase)
0.6614 Remote Similarity NPD6806 Phase 1
0.6594 Remote Similarity NPD5068 Clinical (unspecified phase)
0.6591 Remote Similarity NPD4549 Discontinued
0.6591 Remote Similarity NPD3626 Phase 3
0.6571 Remote Similarity NPD5009 Approved
0.6571 Remote Similarity NPD5010 Approved
0.6544 Remote Similarity NPD1410 Phase 1
0.6541 Remote Similarity NPD2918 Clinical (unspecified phase)
0.6541 Remote Similarity NPD2919 Clinical (unspecified phase)
0.6538 Remote Similarity NPD508 Approved
0.6538 Remote Similarity NPD507 Approved
0.6531 Remote Similarity NPD6855 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6655 Clinical (unspecified phase)
0.6519 Remote Similarity NPD2950 Approved
0.6519 Remote Similarity NPD2949 Approved
0.6508 Remote Similarity NPD3806 Clinical (unspecified phase)
0.6491 Remote Similarity NPD1843 Approved
0.6486 Remote Similarity NPD7011 Discontinued
0.6486 Remote Similarity NPD3589 Clinical (unspecified phase)
0.6483 Remote Similarity NPD1670 Discontinued
0.6471 Remote Similarity NPD1576 Approved
0.6463 Remote Similarity NPD7072 Phase 2
0.6462 Remote Similarity NPD3356 Approved
0.6462 Remote Similarity NPD3355 Approved
0.6462 Remote Similarity NPD2584 Suspended
0.6458 Remote Similarity NPD4939 Clinical (unspecified phase)
0.6457 Remote Similarity NPD998 Approved
0.6454 Remote Similarity NPD4464 Clinical (unspecified phase)
0.6444 Remote Similarity NPD5581 Approved
0.6439 Remote Similarity NPD797 Clinical (unspecified phase)
0.6434 Remote Similarity NPD1947 Approved
0.6434 Remote Similarity NPD3836 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5162 Approved
0.6415 Remote Similarity NPD942 Approved
0.6414 Remote Similarity NPD6144 Discontinued
0.6412 Remote Similarity NPD1640 Clinical (unspecified phase)
0.6408 Remote Similarity NPD7949 Clinical (unspecified phase)
0.6403 Remote Similarity NPD7142 Discontinued
0.6403 Remote Similarity NPD7254 Discontinued
0.64 Remote Similarity NPD1074 Approved
0.64 Remote Similarity NPD1073 Approved
0.64 Remote Similarity NPD1075 Approved
0.6393 Remote Similarity NPD1756 Approved
0.6393 Remote Similarity NPD1752 Approved
0.6389 Remote Similarity NPD6631 Clinical (unspecified phase)
0.6389 Remote Similarity NPD2539 Approved
0.6389 Remote Similarity NPD2538 Approved
0.6385 Remote Similarity NPD1948 Approved
0.6385 Remote Similarity NPD4775 Clinical (unspecified phase)
0.6372 Remote Similarity NPD4407 Approved
0.6372 Remote Similarity NPD4405 Approved
0.6372 Remote Similarity NPD4408 Approved
0.6364 Remote Similarity NPD2962 Approved
0.6364 Remote Similarity NPD2961 Approved
0.6364 Remote Similarity NPD7575 Phase 3
0.6364 Remote Similarity NPD2031 Discontinued
0.6357 Remote Similarity NPD3064 Clinical (unspecified phase)
0.6356 Remote Similarity NPD708 Approved
0.6336 Remote Similarity NPD6408 Phase 1
0.6331 Remote Similarity NPD4214 Discontinued
0.6331 Remote Similarity NPD4077 Clinical (unspecified phase)
0.6328 Remote Similarity NPD5859 Discontinued
0.6325 Remote Similarity NPD1946 Clinical (unspecified phase)
0.632 Remote Similarity NPD5180 Approved
0.632 Remote Similarity NPD5181 Approved
0.632 Remote Similarity NPD5179 Approved
0.6319 Remote Similarity NPD3519 Discontinued
0.6316 Remote Similarity NPD4542 Approved
0.6316 Remote Similarity NPD4545 Approved
0.6312 Remote Similarity NPD3434 Clinical (unspecified phase)
0.6308 Remote Similarity NPD1302 Clinical (unspecified phase)
0.6308 Remote Similarity NPD5187 Clinical (unspecified phase)
0.6306 Remote Similarity NPD5603 Clinical (unspecified phase)
0.6296 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6294 Remote Similarity NPD5918 Discontinued
0.6293 Remote Similarity NPD3495 Discontinued
0.629 Remote Similarity NPD9508 Approved
0.6288 Remote Similarity NPD182 Clinical (unspecified phase)
0.6286 Remote Similarity NPD4158 Clinical (unspecified phase)
0.6277 Remote Similarity NPD4680 Discontinued
0.6273 Remote Similarity NPD3099 Discontinued
0.627 Remote Similarity NPD1022 Approved
0.627 Remote Similarity NPD1023 Approved
0.627 Remote Similarity NPD1020 Approved
0.627 Remote Similarity NPD1021 Approved
0.6269 Remote Similarity NPD3578 Clinical (unspecified phase)
0.6267 Remote Similarity NPD3221 Clinical (unspecified phase)
0.626 Remote Similarity NPD4063 Clinical (unspecified phase)
0.6259 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6259 Remote Similarity NPD5004 Approved
0.625 Remote Similarity NPD5931 Phase 3
0.625 Remote Similarity NPD5932 Phase 3
0.625 Remote Similarity NPD5656 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11074
ChEMBL   CHEMBL172614
ZINC  

Physicochemical Properties

Molecular Weight:  161.05
ALogP:  -0.656
MLogP:  2.12
XLogP:  1.574
# Rotatable Bonds:  1
Polar Surface Area:  37.38
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  12

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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