Natural Product: NPC136441

Natural Product ID:  NPC136441
Common Name:   Dibromophakellstatin
IUPAC Name:  
Synonyms:   (+/-)-Dibromophakellstatin; (-)-Dibromophakellstatin; Dibromophakellstatin
Molecular Formula:   C11H10Br2N4O2
Standard InCHIKey:  QRIRJBWPCUYVPR-GXSJLCMTSA-N
Standard InCHI:  InChI=1S/C11H10Br2N4O2/c12-5-4-6-8(18)16-3-1-2-11(16)9(14-10(19)15-11)17(6)7(5)13/h4,9H,1-3H2,(H2,14,15,19)/t9-,11+/m0/s1
Canonical SMILES:  OC1=N[C@@H]2[C@@]3(N1)CCCN3C(=O)c1n2c(Br)c(c1)Br
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
NPO32942 phakellia mauritiana Species Bubaridae Eukaryota Indian ocean PMID[9051914]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT397 Cell Line NCI-H460 Homo sapiens ED50 = 0.62 ug/ml 15620241
NPT399 Cell Line SF-295 Homo sapiens ED50 = 1.5 ug/ml 1294697
NPT405 Cell Line NCI-H226 Homo sapiens GI50 = 870.96 nM 17336532
NPT407 Cell Line COLO 205 Homo sapiens GI50 = 794.33 nM 18329753
NPT81 Cell Line A549 Homo sapiens GI50 = 676.08 nM 17896816
NPT372 Cell Line HOP-92 Homo sapiens GI50 = 489.78 nM 17896816
NPT111 Cell Line K562 Homo sapiens GI50 = 691.83 nM 17896816
NPT373 Cell Line SK-MEL-5 Homo sapiens ED50 = 0.11 ug/ml 17896816
NPT393 Cell Line HCT-116 Homo sapiens GI50 = 575.44 nM 17896816
NPT139 Cell Line HT-29 Homo sapiens GI50 = 630.96 nM 22939698
NPT2 Others Unspecified IC50 > 100000 nM 9513595
NPT2 Others Unspecified IC50 = 16100 nM 9513595
NPT395 Cell Line SF-268 Homo sapiens IC50 = 550 nM 10650093
NPT2 Others Unspecified IC50 = 50 nM 15787442
NPT2 Others Unspecified IC50 = 1620 nM 15787442
NPT377 Cell Line OVCAR-3 Homo sapiens ED50 = 0.46 ug/ml 25237727
NPT2 Others Unspecified IC50 = 11900 nM 10924160
NPT2 Others Unspecified GI50 = 870.96 nM 17190442
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 724.44 nM 17190442
NPT392 Cell Line SNB-75 Homo sapiens GI50 = 776.25 nM 8984161
NPT374 Cell Line SF-539 Homo sapiens GI50 = 616.6 nM 8984161
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 = 676.08 nM 12713407
NPT380 Cell Line U-251 Homo sapiens GI50 = 588.84 nM 20850311
NPT401 Cell Line 786-0 Homo sapiens GI50 = 602.56 nM 25052206
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 = 120.23 nM 25052206
NPT2 Others Unspecified GI50 = 524.81 nM 25052206
NPT306 Cell Line PC-3 Homo sapiens GI50 = 707.95 nM 25052206
NPT575 Cell Line KM-20L2 Homo sapiens ED50 = 0.11 ug/ml 18625771
NPT2 Others Unspecified IC50 = 6200 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 1350 nM 15497936
NPT376 Cell Line A498 Homo sapiens ED50 = 0.21 ug/ml DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified IC50 = 720 nM 19105653
NPT455 Cell Line NCI-H522 Homo sapiens GI50 = 239.88 nM 11520229

  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 NPC136441 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
0.9317 High Similarity NPC28096
0.9317 High Similarity NPC227489
0.9317 High Similarity NPC226835
0.9317 High Similarity NPC476421
0.9162 High Similarity NPC469814
0.9006 High Similarity NPC476418
0.8855 High Similarity NPC97106
0.8545 High Similarity NPC206148
0.8506 High Similarity NPC46022
0.8405 Intermediate Similarity NPC474236
0.84 Intermediate Similarity NPC112489
0.8274 Intermediate Similarity NPC474383
0.8193 Intermediate Similarity NPC27296
0.8192 Intermediate Similarity NPC63571
0.8192 Intermediate Similarity NPC111566
0.8187 Intermediate Similarity NPC54214
0.8167 Intermediate Similarity NPC476413
0.8146 Intermediate Similarity NPC310633
0.814 Intermediate Similarity NPC80528
0.8122 Intermediate Similarity NPC476414
0.8077 Intermediate Similarity NPC46811
0.8022 Intermediate Similarity NPC19342
0.7903 Intermediate Similarity NPC19696
0.7903 Intermediate Similarity NPC136957
0.7895 Intermediate Similarity NPC73687
0.7895 Intermediate Similarity NPC306160
0.7882 Intermediate Similarity NPC473706
0.7866 Intermediate Similarity NPC260041
0.7865 Intermediate Similarity NPC184932
0.7865 Intermediate Similarity NPC472861
0.7819 Intermediate Similarity NPC9635
0.7796 Intermediate Similarity NPC475286
0.7796 Intermediate Similarity NPC174281
0.7784 Intermediate Similarity NPC37268
0.7778 Intermediate Similarity NPC469716
0.7742 Intermediate Similarity NPC48117
0.7742 Intermediate Similarity NPC476526
0.7742 Intermediate Similarity NPC329765
0.7688 Intermediate Similarity NPC150592
0.7571 Intermediate Similarity NPC469976
0.7528 Intermediate Similarity NPC271927
0.7516 Intermediate Similarity NPC20021
0.7487 Intermediate Similarity NPC476524
0.7418 Intermediate Similarity NPC314281
0.7418 Intermediate Similarity NPC40530
0.7413 Intermediate Similarity NPC469717
0.7401 Intermediate Similarity NPC474696
0.7351 Intermediate Similarity NPC476423
0.731 Intermediate Similarity NPC476525
0.7225 Intermediate Similarity NPC472260
0.7219 Intermediate Similarity NPC476527
0.7151 Intermediate Similarity NPC2414
0.7059 Intermediate Similarity NPC270834
0.6979 Remote Similarity NPC210123
0.6932 Remote Similarity NPC109158
0.6912 Remote Similarity NPC469715
0.6907 Remote Similarity NPC474180
0.6907 Remote Similarity NPC188821
0.6853 Remote Similarity NPC474389
0.678 Remote Similarity NPC52110
0.6758 Remote Similarity NPC253687
0.6725 Remote Similarity NPC472288
0.6667 Remote Similarity NPC298288
0.6632 Remote Similarity NPC265710
0.6597 Remote Similarity NPC16659
0.6579 Remote Similarity NPC240088
0.6579 Remote Similarity NPC473380
0.6555 Remote Similarity NPC470703
0.6538 Remote Similarity NPC142688
0.6526 Remote Similarity NPC476419
0.652 Remote Similarity NPC66642
0.6509 Remote Similarity NPC475736
0.6507 Remote Similarity NPC470702
0.6507 Remote Similarity NPC473218
0.6505 Remote Similarity NPC233380
0.6416 Remote Similarity NPC23215
0.6416 Remote Similarity NPC291517
0.6412 Remote Similarity NPC71236
0.6345 Remote Similarity NPC135601
0.6345 Remote Similarity NPC141612
0.6345 Remote Similarity NPC17273
0.6337 Remote Similarity NPC77061
0.6327 Remote Similarity NPC21429
0.6324 Remote Similarity NPC477004
0.6318 Remote Similarity NPC156003
0.6296 Remote Similarity NPC474195
0.6294 Remote Similarity NPC133003
0.6284 Remote Similarity NPC476817
0.6278 Remote Similarity NPC474357
0.6276 Remote Similarity NPC470205
0.627 Remote Similarity NPC74357
0.6261 Remote Similarity NPC470323
0.625 Remote Similarity NPC161861
0.6238 Remote Similarity NPC116555
0.6233 Remote Similarity NPC935
0.6233 Remote Similarity NPC267078
0.6218 Remote Similarity NPC186068
0.6218 Remote Similarity NPC469529
0.6215 Remote Similarity NPC50562
0.6193 Remote Similarity NPC98156
0.6193 Remote Similarity NPC200397
0.6193 Remote Similarity NPC138596
0.6193 Remote Similarity NPC195704
0.6193 Remote Similarity NPC292434
0.6193 Remote Similarity NPC64661
0.6193 Remote Similarity NPC14448
0.6193 Remote Similarity NPC167200
0.6186 Remote Similarity NPC67658
0.6182 Remote Similarity NPC474196
0.6163 Remote Similarity NPC313823
0.6145 Remote Similarity NPC169308
0.6145 Remote Similarity NPC244087
0.6145 Remote Similarity NPC59839
0.6145 Remote Similarity NPC209281
0.6145 Remote Similarity NPC74928
0.6145 Remote Similarity NPC3698
0.6145 Remote Similarity NPC302717
0.6145 Remote Similarity NPC286529
0.6145 Remote Similarity NPC77582
0.6145 Remote Similarity NPC48171
0.6145 Remote Similarity NPC12831
0.6145 Remote Similarity NPC205604
0.6145 Remote Similarity NPC97230
0.6145 Remote Similarity NPC129753
0.6141 Remote Similarity NPC473878
0.6135 Remote Similarity NPC269203
0.6135 Remote Similarity NPC13456
0.6135 Remote Similarity NPC77241
0.6135 Remote Similarity NPC166209
0.6129 Remote Similarity NPC209362
0.6129 Remote Similarity NPC33229
0.6124 Remote Similarity NPC317701
0.612 Remote Similarity NPC100726
0.6105 Remote Similarity NPC247987
0.6099 Remote Similarity NPC467188
0.6089 Remote Similarity NPC324091
0.6087 Remote Similarity NPC201266
0.6087 Remote Similarity NPC220797
0.6087 Remote Similarity NPC237414
0.6087 Remote Similarity NPC475914
0.6087 Remote Similarity NPC268744
0.6087 Remote Similarity NPC474318
0.6087 Remote Similarity NPC153123
0.6073 Remote Similarity NPC272174
0.6064 Remote Similarity NPC213914
0.6062 Remote Similarity NPC471943
0.6059 Remote Similarity NPC243716
0.605 Remote Similarity NPC474258
0.6045 Remote Similarity NPC474896
0.6037 Remote Similarity NPC470732
0.6037 Remote Similarity NPC470731
0.6033 Remote Similarity NPC105811
0.6022 Remote Similarity NPC114033
0.6022 Remote Similarity NPC58268
0.6022 Remote Similarity NPC129412
0.6022 Remote Similarity NPC101130
0.6021 Remote Similarity NPC274981
0.602 Remote Similarity NPC151635
0.6019 Remote Similarity NPC473376
0.6019 Remote Similarity NPC282247
0.6018 Remote Similarity NPC175150
0.6018 Remote Similarity NPC243633
0.6018 Remote Similarity NPC31097
0.6011 Remote Similarity NPC470440
0.601 Remote Similarity NPC91179
0.601 Remote Similarity NPC182940
0.6009 Remote Similarity NPC71238
0.6 Remote Similarity NPC477003
0.599 Remote Similarity NPC473946
0.5989 Remote Similarity NPC251391
0.598 Remote Similarity NPC476460
0.5972 Remote Similarity NPC471194
0.5972 Remote Similarity NPC471193
0.5968 Remote Similarity NPC471655
0.5963 Remote Similarity NPC147983
0.5963 Remote Similarity NPC177996
0.5961 Remote Similarity NPC473666
0.5957 Remote Similarity NPC75135
0.5955 Remote Similarity NPC168209
0.5947 Remote Similarity NPC474492
0.5946 Remote Similarity NPC312942
0.5946 Remote Similarity NPC327095
0.5936 Remote Similarity NPC470679
0.5936 Remote Similarity NPC217021
0.5936 Remote Similarity NPC70406
0.5936 Remote Similarity NPC267811
0.5926 Remote Similarity NPC54981
0.592 Remote Similarity NPC108011
0.592 Remote Similarity NPC285923
0.5919 Remote Similarity NPC40455
0.5916 Remote Similarity NPC470680
0.5916 Remote Similarity NPC100104
0.5915 Remote Similarity NPC471191
0.5914 Remote Similarity NPC123906
0.5914 Remote Similarity NPC13432
0.5911 Remote Similarity NPC17059
0.5893 Remote Similarity NPC19170
0.5892 Remote Similarity NPC302159
0.5885 Remote Similarity NPC171317
0.5879 Remote Similarity NPC11126

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC136441 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
0.7292 Intermediate Similarity NPD7459 Phase 2
0.7016 Intermediate Similarity NPD5685 Approved
0.7016 Intermediate Similarity NPD5686 Approved
0.701 Intermediate Similarity NPD2289 Phase 3
0.701 Intermediate Similarity NPD2290 Phase 3
0.6699 Remote Similarity NPD5643 Phase 2
0.6648 Remote Similarity NPD9343 Clinical (unspecified phase)
0.6566 Remote Similarity NPD5274 Clinical (unspecified phase)
0.6566 Remote Similarity NPD460 Discontinued
0.6526 Remote Similarity NPD2367 Phase 2
0.6522 Remote Similarity NPD1600 Suspended
0.6502 Remote Similarity NPD6837 Clinical (unspecified phase)
0.6473 Remote Similarity NPD2442 Approved
0.6473 Remote Similarity NPD2443 Approved
0.6457 Remote Similarity NPD569 Clinical (unspecified phase)
0.6383 Remote Similarity NPD439 Approved
0.6383 Remote Similarity NPD438 Approved
0.6382 Remote Similarity NPD1658 Discontinued
0.6364 Remote Similarity NPD2819 Clinical (unspecified phase)
0.6355 Remote Similarity NPD6470 Phase 3
0.6353 Remote Similarity NPD1031 Discontinued
0.6346 Remote Similarity NPD1506 Discontinued
0.6346 Remote Similarity NPD6328 Clinical (unspecified phase)
0.6345 Remote Similarity NPD5820 Clinical (unspecified phase)
0.6328 Remote Similarity NPD2222 Discontinued
0.6319 Remote Similarity NPD971 Clinical (unspecified phase)
0.6305 Remote Similarity NPD1952 Discontinued
0.6298 Remote Similarity NPD4559 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6210 Phase 3
0.6286 Remote Similarity NPD2408 Discontinued
0.6284 Remote Similarity NPD2128 Phase 1
0.6262 Remote Similarity NPD5017 Discontinued
0.625 Remote Similarity NPD5198 Approved
0.625 Remote Similarity NPD5199 Approved
0.6225 Remote Similarity NPD1174 Phase 2
0.6224 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6221 Remote Similarity NPD6579 Phase 2
0.6219 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6209 Remote Similarity NPD7704 Clinical (unspecified phase)
0.62 Remote Similarity NPD1250 Clinical (unspecified phase)
0.62 Remote Similarity NPD5016 Approved
0.6184 Remote Similarity NPD7817 Phase 1
0.6181 Remote Similarity NPD645 Clinical (unspecified phase)
0.6166 Remote Similarity NPD1037 Clinical (unspecified phase)
0.6165 Remote Similarity NPD2405 Phase 3
0.6162 Remote Similarity NPD1096 Discontinued
0.6154 Remote Similarity NPD3041 Approved
0.6154 Remote Similarity NPD5887 Clinical (unspecified phase)
0.615 Remote Similarity NPD3246 Discontinued
0.6146 Remote Similarity NPD2880 Discontinued
0.6146 Remote Similarity NPD1573 Approved
0.6146 Remote Similarity NPD1575 Approved
0.6143 Remote Similarity NPD7568 Phase 1
0.6136 Remote Similarity NPD272 Approved
0.6129 Remote Similarity NPD1623 Approved
0.6122 Remote Similarity NPD2590 Clinical (unspecified phase)
0.6117 Remote Similarity NPD2947 Clinical (unspecified phase)
0.61 Remote Similarity NPD7026 Phase 2
0.61 Remote Similarity NPD3913 Clinical (unspecified phase)
0.6099 Remote Similarity NPD175 Clinical (unspecified phase)
0.6096 Remote Similarity NPD3360 Clinical (unspecified phase)
0.6073 Remote Similarity NPD1568 Clinical (unspecified phase)
0.6071 Remote Similarity NPD4155 Approved
0.6068 Remote Similarity NPD5446 Phase 2
0.6066 Remote Similarity NPD6271 Approved
0.6066 Remote Similarity NPD2008 Discontinued
0.6057 Remote Similarity NPD809 Discontinued
0.6055 Remote Similarity NPD4541 Clinical (unspecified phase)
0.6051 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6051 Remote Similarity NPD7297 Phase 2
0.605 Remote Similarity NPD2814 Clinical (unspecified phase)
0.6029 Remote Similarity NPD5973 Phase 2
0.6029 Remote Similarity NPD5974 Approved
0.6029 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6022 Remote Similarity NPD510 Phase 1
0.602 Remote Similarity NPD4940 Approved
0.6019 Remote Similarity NPD4299 Phase 1
0.6019 Remote Similarity NPD2130 Discontinued
0.6019 Remote Similarity NPD2363 Discontinued
0.601 Remote Similarity NPD5854 Approved
0.6 Remote Similarity NPD6268 Phase 1
0.6 Remote Similarity NPD174 Discontinued
0.6 Remote Similarity NPD6269 Clinical (unspecified phase)
0.599 Remote Similarity NPD509 Phase 3
0.599 Remote Similarity NPD2009 Clinical (unspecified phase)
0.5981 Remote Similarity NPD3968 Approved
0.5971 Remote Similarity NPD5853 Phase 3
0.5971 Remote Similarity NPD5855 Phase 3
0.5971 Remote Similarity NPD953 Approved
0.5969 Remote Similarity NPD4883 Approved
0.5963 Remote Similarity NPD3353 Approved
0.5962 Remote Similarity NPD3410 Approved
0.5962 Remote Similarity NPD465 Clinical (unspecified phase)
0.5962 Remote Similarity NPD8493 Clinical (unspecified phase)
0.5962 Remote Similarity NPD3411 Phase 2
0.5962 Remote Similarity NPD1982 Phase 1
0.5959 Remote Similarity NPD5611 Phase 2
0.5959 Remote Similarity NPD1215 Discontinued
0.5956 Remote Similarity NPD7888 Approved
0.5956 Remote Similarity NPD7887 Approved
0.5952 Remote Similarity NPD3890 Phase 2
0.5952 Remote Similarity NPD3891 Phase 2
0.5951 Remote Similarity NPD7098 Clinical (unspecified phase)
0.5946 Remote Similarity NPD5001 Clinical (unspecified phase)
0.5943 Remote Similarity NPD7207 Approved
0.5943 Remote Similarity NPD5000 Phase 2
0.5943 Remote Similarity NPD6288 Clinical (unspecified phase)
0.5943 Remote Similarity NPD7208 Approved
0.5943 Remote Similarity NPD7209 Approved
0.5942 Remote Similarity NPD7027 Phase 3
0.5941 Remote Similarity NPD5809 Phase 3
0.5938 Remote Similarity NPD1631 Approved
0.593 Remote Similarity NPD5508 Phase 1
0.5926 Remote Similarity NPD2927 Phase 3
0.5924 Remote Similarity NPD4134 Clinical (unspecified phase)
0.5922 Remote Similarity NPD2004 Clinical (unspecified phase)
0.592 Remote Similarity NPD721 Approved
0.5919 Remote Similarity NPD7716 Approved
0.5919 Remote Similarity NPD7717 Approved
0.5917 Remote Similarity NPD2547 Discontinued
0.5915 Remote Similarity NPD3967 Approved
0.5911 Remote Similarity NPD4988 Discontinued
0.5899 Remote Similarity NPD2411 Approved
0.5899 Remote Similarity NPD7656 Approved
0.5899 Remote Similarity NPD7657 Approved
0.5897 Remote Similarity NPD4024 Phase 3
0.5894 Remote Similarity NPD7406 Phase 2
0.5885 Remote Similarity NPD1015 Phase 2
0.5885 Remote Similarity NPD1016 Phase 2
0.5882 Remote Similarity NPD207 Discontinued
0.5882 Remote Similarity NPD7175 Phase 1
0.5879 Remote Similarity NPD9599 Approved
0.5879 Remote Similarity NPD3078 Approved
0.5879 Remote Similarity NPD3076 Approved
0.5879 Remote Similarity NPD3079 Approved
0.5879 Remote Similarity NPD3077 Approved
0.5877 Remote Similarity NPD5333 Clinical (unspecified phase)
0.5872 Remote Similarity NPD4341 Clinical (unspecified phase)
0.5869 Remote Similarity NPD3247 Clinical (unspecified phase)
0.5869 Remote Similarity NPD8169 Discontinued
0.5864 Remote Similarity NPD1630 Approved
0.586 Remote Similarity NPD7232 Discontinued
0.5851 Remote Similarity NPD5965 Clinical (unspecified phase)
0.5851 Remote Similarity NPD3248 Phase 1
0.5849 Remote Similarity NPD6802 Phase 3
0.5846 Remote Similarity NPD1292 Clinical (unspecified phase)
0.5846 Remote Similarity NPD9582 Phase 3
0.5845 Remote Similarity NPD1173 Approved
0.5841 Remote Similarity NPD5489 Phase 1
0.5841 Remote Similarity NPD6165 Phase 2
0.5841 Remote Similarity NPD5491 Phase 3
0.5841 Remote Similarity NPD6164 Phase 2
0.5838 Remote Similarity NPD3080 Clinical (unspecified phase)
0.5837 Remote Similarity NPD6664 Approved
0.5833 Remote Similarity NPD5935 Discontinued
0.5833 Remote Similarity NPD6418 Phase 1
0.5829 Remote Similarity NPD4961 Approved
0.5829 Remote Similarity NPD5013 Approved
0.5825 Remote Similarity NPD1333 Phase 3
0.5825 Remote Similarity NPD6180 Clinical (unspecified phase)
0.5825 Remote Similarity NPD3517 Clinical (unspecified phase)
0.582 Remote Similarity NPD5461 Discontinued
0.5818 Remote Similarity NPD2402 Approved
0.5818 Remote Similarity NPD2401 Approved
0.5815 Remote Similarity NPD9724 Phase 1
0.5814 Remote Similarity NPD3905 Phase 3
0.581 Remote Similarity NPD7204 Clinical (unspecified phase)
0.5805 Remote Similarity NPD1284 Clinical (unspecified phase)
0.5805 Remote Similarity NPD1657 Approved
0.5802 Remote Similarity NPD4962 Approved
0.5802 Remote Similarity NPD4963 Approved
0.5801 Remote Similarity NPD201 Phase 2
0.5801 Remote Similarity NPD200 Phase 2
0.5797 Remote Similarity NPD1896 Approved
0.5797 Remote Similarity NPD3430 Approved
0.5797 Remote Similarity NPD3431 Approved
0.5792 Remote Similarity NPD2137 Approved
0.5792 Remote Similarity NPD8256 Approved
0.5792 Remote Similarity NPD2138 Approved
0.5792 Remote Similarity NPD8257 Approved
0.5792 Remote Similarity NPD1591 Approved
0.5792 Remote Similarity NPD8258 Clinical (unspecified phase)
0.5789 Remote Similarity NPD2061 Approved
0.5789 Remote Similarity NPD4436 Clinical (unspecified phase)
0.5789 Remote Similarity NPD7023 Clinical (unspecified phase)
0.5787 Remote Similarity NPD6521 Phase 3
0.5787 Remote Similarity NPD803 Phase 1
0.5787 Remote Similarity NPD4959 Approved
0.5787 Remote Similarity NPD4960 Approved
0.5787 Remote Similarity NPD6520 Phase 3
0.5787 Remote Similarity NPD6459 Phase 2
0.5784 Remote Similarity NPD2591 Phase 2
0.5784 Remote Similarity NPD3315 Phase 3
0.578 Remote Similarity NPD4863 Approved
0.5779 Remote Similarity NPD5943 Clinical (unspecified phase)
0.5779 Remote Similarity NPD4385 Clinical (unspecified phase)
0.5777 Remote Similarity NPD3871 Clinical (unspecified phase)
0.5777 Remote Similarity NPD3870 Clinical (unspecified phase)
0.5775 Remote Similarity NPD3774 Approved
0.5775 Remote Similarity NPD3773 Approved

Structure

External Identifiers

PubChem CID   10500579
ChEMBL   CHEMBL390234
ZINC  

Physicochemical Properties

Molecular Weight:  387.92
ALogP:  -0.0294
MLogP:  1.79
XLogP:  2.185
# Rotatable Bonds:  3
Polar Surface Area:  69.86
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  19

Download Data

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Biological Activities  
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