Natural Product: NPC115595

Natural Product ID:  NPC115595
Common Name:   Aphrocallistin
IUPAC Name:   N-[2-[3,5-dibromo-4-[3-[(3-methylpurin-6-yl)amino]propoxy]phenyl]ethyl]-N-methylacetamide
Synonyms:   Aphrocallistin
Molecular Formula:   C20H24Br2N6O2
Standard InCHIKey:  ONIZXWNHLRRDOK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C20H24Br2N6O2/c1-13(29)27(2)7-5-14-9-15(21)18(16(22)10-14)30-8-4-6-23-19-17-20(25-11-24-17)28(3)12-26-19/h9-12,23H,4-8H2,1-3H3
Canonical SMILES:  CC(=O)N(CCc1cc(Br)c(c(c1)Br)OCCCNc1ncn(c2c1ncn2)C)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
NPO1486 Aphrocallistes beatrix Species Aphrocallistidae Eukaryota PMID[19459694]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT388 Cell Line NCI-H322M Homo sapiens Activity = 76.48 % 24844534
NPT397 Cell Line NCI-H460 Homo sapiens Activity = 60.08 % 24844534
NPT385 Cell Line SR Homo sapiens Activity = 10.72 % 24852121
NPT370 Cell Line NCI-H23 Homo sapiens Activity = 42.18 % 24911880
NPT379 Cell Line HOP-62 Homo sapiens Activity = 71.38 % 24813739
NPT372 Cell Line HOP-92 Homo sapiens Activity = 75.25 % 24813739
NPT783 Cell Line MIA PaCa-2 Homo sapiens IC50 = 26600 nM 11374967
NPT378 Cell Line NCI/ADR-RES Homo sapiens IC50 = 34300 nM 11374967
NPT1081 Cell Line BXPC-3 Homo sapiens IC50 = 70900 nM 11374967
NPT579 Cell Line DLD-1 Homo sapiens IC50 = 7500 nM 19572738
NPT2297 Cell Line ASPC1 Homo sapiens IC50 > 100000 nM 19572738
NPT81 Cell Line A549 Homo sapiens IC50 = 15900 nM 19425589
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 22800 nM 19216517
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 76100 nM 19216517
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 250 ug/ml 19015326
NPT20 Organism Candida albicans Candida albicans MIC = 250 ug/ml 19015326
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 500 ug/ml 19015326
NPT394 Cell Line EKVX Homo sapiens Activity = 45.38 % 1955885
NPT116 Cell Line HL-60 Homo sapiens Activity = 39.94 % 1955885
NPT112 Cell Line MOLT-4 Homo sapiens Activity = 50.93 % 1955885
NPT382 Cell Line OVCAR-5 Homo sapiens Activity = 88.65 % 10.6019/CHEMBL1201861
NPT401 Cell Line 786-0 Homo sapiens Activity = 70.65 % 10.6019/CHEMBL1201861
NPT90 Cell Line DU-145 Homo sapiens Activity = 102.31 % 23819826
NPT146 Cell Line SK-OV-3 Homo sapiens Activity = 94.44 % 19775092
NPT399 Cell Line SF-295 Homo sapiens Activity = 50.01 % 14575429
NPT395 Cell Line SF-268 Homo sapiens Activity = 97.87 % 14575429
NPT139 Cell Line HT-29 Homo sapiens Activity = 88.11 % 21084196
NPT148 Cell Line HCT-15 Homo sapiens Activity = 99.13 % 21084196
NPT323 Cell Line SW-620 Homo sapiens Activity = 89.87 % 21084196
NPT386 Cell Line KM12 Homo sapiens Activity = 88.97 % 21084196
NPT407 Cell Line COLO 205 Homo sapiens Activity = 104.32 % 26052978
NPT455 Cell Line NCI-H522 Homo sapiens Activity = 36.6 % 26052978
NPT393 Cell Line HCT-116 Homo sapiens Activity = 28.57 % 26034885
NPT391 Cell Line HCC 2998 Homo sapiens Activity = 65.57 % 26034885
NPT457 Cell Line BT-549 Homo sapiens Activity = 56.49 % DrugMatrix in vitro pharmacology data
NPT396 Cell Line T47D Homo sapiens Activity = 26.91 % DrugMatrix in vitro pharmacology data
NPT82 Cell Line MDA-MB-231 Homo sapiens Activity = 74.94 % DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Activity = 52.48 % DrugMatrix in vitro pharmacology data
NPT83 Cell Line MCF7 Homo sapiens Activity = 39.83 % DrugMatrix in vitro pharmacology data
NPT384 Cell Line TK-10 Homo sapiens Activity = 89.47 % DrugMatrix in vitro pharmacology data
NPT371 Cell Line UO-31 Homo sapiens Activity = 79.45 % DrugMatrix in vitro pharmacology data
NPT369 Cell Line ACHN Homo sapiens Activity = 69.23 % DrugMatrix in vitro pharmacology data
NPT368 Cell Line SN12C Homo sapiens Activity = 92.68 % DrugMatrix in vitro pharmacology data
NPT404 Cell Line CCRF-CEM Homo sapiens Activity = 80.24 % 24328269
NPT433 Subcellular Liver microsomes Homo sapiens Activity = 96.92 % 25412141
NPT624 Tissue Plasma Mus musculus Activity = 79.6 % 22325941
NPT374 Cell Line SF-539 Homo sapiens Activity = 80.09 % 26640981
NPT383 Cell Line SNB-19 Homo sapiens Activity = 71.64 % 26640981
NPT392 Cell Line SNB-75 Homo sapiens Activity = 81.17 % 26640981
NPT380 Cell Line U-251 Homo sapiens Activity = 79.39 % 26640981
NPT390 Cell Line LOX IMVI Homo sapiens Activity = 55.23 % 26640981
NPT387 Cell Line M14 Homo sapiens Activity = 73.49 % 26651537
NPT375 Cell Line Malme-3M Homo sapiens Activity = 76.4 % 26651537
NPT400 Cell Line MDA-MB-435 Homo sapiens Activity = 62.57 % 26651537
NPT147 Cell Line SK-MEL-2 Homo sapiens Activity = 71.47 % 26832222
NPT170 Cell Line SK-MEL-28 Homo sapiens Activity = 84.58 % 26832222
NPT189 Cell Line Vero Chlorocebus aethiops Ratio IC50 = 3 11374948
NPT784 Cell Line MDA-MB-468 Homo sapiens Activity = 25.48 % 11374948
NPT189 Cell Line Vero Chlorocebus aethiops Ratio IC50 = 10 11374948
NPT405 Cell Line NCI-H226 Homo sapiens Activity = 44.72 % 22672981
NPT377 Cell Line OVCAR-3 Homo sapiens Activity = 87.3 % PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens Activity = 64.84 % PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens Activity = 79.32 % PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens Activity = 20 % 22037378
NPT378 Cell Line NCI/ADR-RES Homo sapiens Activity = 72.89 % 22037378
NPT456 Cell Line OVCAR-4 Homo sapiens Activity = 33.32 % 22037378
NPT376 Cell Line A498 Homo sapiens Activity = 71.71 % 22037378

  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 NPC115595 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
0.7773 Intermediate Similarity NPC160666
0.7444 Intermediate Similarity NPC113369
0.7412 Intermediate Similarity NPC250178
0.7241 Intermediate Similarity NPC243633
0.7241 Intermediate Similarity NPC175150
0.7181 Intermediate Similarity NPC242923
0.713 Intermediate Similarity NPC67658
0.7045 Intermediate Similarity NPC280638
0.6966 Remote Similarity NPC308906
0.6894 Remote Similarity NPC168209
0.689 Remote Similarity NPC150447
0.6867 Remote Similarity NPC50562
0.6795 Remote Similarity NPC50511
0.6763 Remote Similarity NPC187145
0.6695 Remote Similarity NPC17305
0.6667 Remote Similarity NPC223223
0.6638 Remote Similarity NPC471603
0.6625 Remote Similarity NPC470502
0.6586 Remote Similarity NPC30540
0.657 Remote Similarity NPC470503
0.6569 Remote Similarity NPC467439
0.656 Remote Similarity NPC471614
0.6527 Remote Similarity NPC12100
0.6523 Remote Similarity NPC56271
0.6511 Remote Similarity NPC174758
0.6484 Remote Similarity NPC472067
0.6484 Remote Similarity NPC472066
0.6484 Remote Similarity NPC472031
0.6475 Remote Similarity NPC35761
0.6461 Remote Similarity NPC470501
0.6422 Remote Similarity NPC232727
0.6413 Remote Similarity NPC477254
0.6406 Remote Similarity NPC472068
0.6405 Remote Similarity NPC136924
0.6398 Remote Similarity NPC287208
0.6397 Remote Similarity NPC237978
0.639 Remote Similarity NPC308571
0.6371 Remote Similarity NPC174672
0.6367 Remote Similarity NPC130570
0.6349 Remote Similarity NPC274982
0.6335 Remote Similarity NPC33064
0.6335 Remote Similarity NPC143450
0.6333 Remote Similarity NPC77101
0.6331 Remote Similarity NPC66777
0.6331 Remote Similarity NPC315822
0.6331 Remote Similarity NPC471762
0.6329 Remote Similarity NPC82548
0.6327 Remote Similarity NPC46970
0.6311 Remote Similarity NPC265111
0.6311 Remote Similarity NPC323969
0.6309 Remote Similarity NPC19872
0.63 Remote Similarity NPC472289
0.629 Remote Similarity NPC323244
0.6289 Remote Similarity NPC477796
0.6289 Remote Similarity NPC477806
0.6289 Remote Similarity NPC477805
0.6289 Remote Similarity NPC477795
0.6276 Remote Similarity NPC167860
0.6276 Remote Similarity NPC123976
0.6275 Remote Similarity NPC471615
0.627 Remote Similarity NPC292958
0.627 Remote Similarity NPC174489
0.6255 Remote Similarity NPC328924
0.6244 Remote Similarity NPC128877
0.6244 Remote Similarity NPC317054
0.6239 Remote Similarity NPC176538
0.6227 Remote Similarity NPC477255
0.6224 Remote Similarity NPC26679
0.622 Remote Similarity NPC26641
0.6215 Remote Similarity NPC21461
0.6209 Remote Similarity NPC76412
0.62 Remote Similarity NPC156003
0.6198 Remote Similarity NPC476287
0.619 Remote Similarity NPC198673
0.619 Remote Similarity NPC296085
0.619 Remote Similarity NPC71629
0.618 Remote Similarity NPC267928
0.6178 Remote Similarity NPC144114
0.6172 Remote Similarity NPC37152
0.617 Remote Similarity NPC121772
0.616 Remote Similarity NPC157931
0.616 Remote Similarity NPC257851
0.616 Remote Similarity NPC107160
0.6154 Remote Similarity NPC60621
0.6154 Remote Similarity NPC168911
0.615 Remote Similarity NPC469975
0.615 Remote Similarity NPC47672
0.6148 Remote Similarity NPC99891
0.6142 Remote Similarity NPC158055
0.614 Remote Similarity NPC156311
0.614 Remote Similarity NPC233926
0.6139 Remote Similarity NPC470504
0.6138 Remote Similarity NPC193267
0.6138 Remote Similarity NPC213530
0.6135 Remote Similarity NPC314954
0.6134 Remote Similarity NPC285558
0.6133 Remote Similarity NPC473585
0.6126 Remote Similarity NPC200553
0.6124 Remote Similarity NPC295452
0.6124 Remote Similarity NPC39092
0.6124 Remote Similarity NPC171393
0.6122 Remote Similarity NPC305984
0.6118 Remote Similarity NPC162002
0.6107 Remote Similarity NPC51854
0.6104 Remote Similarity NPC122436
0.6102 Remote Similarity NPC141053
0.61 Remote Similarity NPC185782
0.6096 Remote Similarity NPC124920
0.6096 Remote Similarity NPC118559
0.6096 Remote Similarity NPC34580
0.6096 Remote Similarity NPC304307
0.6092 Remote Similarity NPC245816
0.6092 Remote Similarity NPC476138
0.609 Remote Similarity NPC63109
0.6085 Remote Similarity NPC239954
0.6083 Remote Similarity NPC243850
0.6078 Remote Similarity NPC245055
0.6076 Remote Similarity NPC98685
0.6071 Remote Similarity NPC100547
0.6069 Remote Similarity NPC9729
0.6067 Remote Similarity NPC470505
0.6058 Remote Similarity NPC476465
0.6048 Remote Similarity NPC78530
0.6047 Remote Similarity NPC223409
0.6047 Remote Similarity NPC95240
0.6047 Remote Similarity NPC322135
0.6042 Remote Similarity NPC476121
0.6042 Remote Similarity NPC476124
0.6036 Remote Similarity NPC164664
0.6035 Remote Similarity NPC477891
0.6034 Remote Similarity NPC315957
0.6032 Remote Similarity NPC261251
0.6025 Remote Similarity NPC223427
0.6024 Remote Similarity NPC310118
0.6024 Remote Similarity NPC14288
0.6009 Remote Similarity NPC324149
0.6009 Remote Similarity NPC105758
0.6009 Remote Similarity NPC476686
0.6009 Remote Similarity NPC476688
0.6008 Remote Similarity NPC101350
0.6008 Remote Similarity NPC48317
0.6 Remote Similarity NPC77435
0.6 Remote Similarity NPC54803
0.6 Remote Similarity NPC279189
0.6 Remote Similarity NPC321592
0.6 Remote Similarity NPC259071
0.5992 Remote Similarity NPC60006
0.5992 Remote Similarity NPC18487
0.5992 Remote Similarity NPC214142
0.5992 Remote Similarity NPC272549
0.5991 Remote Similarity NPC278874
0.5985 Remote Similarity NPC26543
0.5984 Remote Similarity NPC472099
0.5983 Remote Similarity NPC84853
0.5983 Remote Similarity NPC295898
0.5983 Remote Similarity NPC473761
0.5983 Remote Similarity NPC108011
0.5983 Remote Similarity NPC284678
0.5982 Remote Similarity NPC208060
0.5977 Remote Similarity NPC474357
0.5977 Remote Similarity NPC284888
0.5972 Remote Similarity NPC135349
0.5969 Remote Similarity NPC235685
0.5968 Remote Similarity NPC110151
0.5968 Remote Similarity NPC303658
0.5966 Remote Similarity NPC92111
0.5966 Remote Similarity NPC329747
0.5965 Remote Similarity NPC307191
0.5964 Remote Similarity NPC476518
0.5961 Remote Similarity NPC260434
0.5961 Remote Similarity NPC470323
0.5959 Remote Similarity NPC264176
0.5959 Remote Similarity NPC179896
0.5958 Remote Similarity NPC53144
0.5954 Remote Similarity NPC472434
0.5953 Remote Similarity NPC258222
0.5952 Remote Similarity NPC474196
0.5952 Remote Similarity NPC245348
0.5951 Remote Similarity NPC470799
0.5951 Remote Similarity NPC170114
0.5951 Remote Similarity NPC8022
0.5948 Remote Similarity NPC246591
0.5944 Remote Similarity NPC17565
0.5938 Remote Similarity NPC935
0.5938 Remote Similarity NPC121658
0.5938 Remote Similarity NPC469554
0.5938 Remote Similarity NPC267078
0.5938 Remote Similarity NPC14651
0.5935 Remote Similarity NPC282247
0.5934 Remote Similarity NPC470500
0.5931 Remote Similarity NPC8093
0.5931 Remote Similarity NPC121571
0.5929 Remote Similarity NPC24370
0.5929 Remote Similarity NPC319232
0.5927 Remote Similarity NPC223189
0.5926 Remote Similarity NPC475910
0.5926 Remote Similarity NPC469711
0.5926 Remote Similarity NPC71238
0.5924 Remote Similarity NPC187558
0.5923 Remote Similarity NPC76748

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC115595 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
0.8027 Intermediate Similarity NPD5703 Discontinued
0.7689 Intermediate Similarity NPD3590 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD6186 Approved
0.7446 Intermediate Similarity NPD1273 Discontinued
0.7357 Intermediate Similarity NPD6643 Discontinued
0.7339 Intermediate Similarity NPD5116 Phase 1
0.7333 Intermediate Similarity NPD5051 Phase 1
0.7303 Intermediate Similarity NPD6573 Phase 3
0.7303 Intermediate Similarity NPD6572 Phase 2
0.7288 Intermediate Similarity NPD4847 Phase 1
0.7273 Intermediate Similarity NPD3255 Phase 1
0.7273 Intermediate Similarity NPD3254 Phase 1
0.7257 Intermediate Similarity NPD4306 Phase 1
0.7246 Intermediate Similarity NPD5139 Phase 1
0.7227 Intermediate Similarity NPD6760 Discontinued
0.7225 Intermediate Similarity NPD6202 Discontinued
0.72 Intermediate Similarity NPD5528 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD5529 Phase 1
0.7184 Intermediate Similarity NPD5007 Approved
0.7137 Intermediate Similarity NPD4048 Approved
0.7106 Intermediate Similarity NPD4132 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD7198 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD34 Approved
0.7098 Intermediate Similarity NPD4713 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD4715 Clinical (unspecified phase)
0.7098 Intermediate Similarity NPD4714 Approved
0.709 Intermediate Similarity NPD7620 Phase 2
0.7087 Intermediate Similarity NPD6528 Phase 1
0.7087 Intermediate Similarity NPD5052 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1900 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD6772 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD5802 Phase 2
0.7013 Intermediate Similarity NPD4358 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2984 Phase 2
0.6986 Remote Similarity NPD1286 Suspended
0.6983 Remote Similarity NPD4654 Phase 1
0.6979 Remote Similarity NPD6589 Phase 1
0.6959 Remote Similarity NPD7757 Approved
0.6959 Remote Similarity NPD7758 Approved
0.6951 Remote Similarity NPD4440 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7051 Phase 3
0.6933 Remote Similarity NPD7050 Clinical (unspecified phase)
0.6929 Remote Similarity NPD7705 Clinical (unspecified phase)
0.6926 Remote Similarity NPD6023 Discontinued
0.692 Remote Similarity NPD983 Clinical (unspecified phase)
0.6914 Remote Similarity NPD1259 Discontinued
0.6908 Remote Similarity NPD4896 Clinical (unspecified phase)
0.6903 Remote Similarity NPD3765 Approved
0.6901 Remote Similarity NPD4080 Discontinued
0.6894 Remote Similarity NPD4555 Clinical (unspecified phase)
0.6885 Remote Similarity NPD5509 Phase 1
0.688 Remote Similarity NPD6482 Phase 1
0.6842 Remote Similarity NPD1287 Phase 2
0.6842 Remote Similarity NPD6473 Phase 1
0.6842 Remote Similarity NPD2965 Clinical (unspecified phase)
0.6838 Remote Similarity NPD2412 Clinical (unspecified phase)
0.6831 Remote Similarity NPD6223 Clinical (unspecified phase)
0.683 Remote Similarity NPD4673 Phase 2
0.6827 Remote Similarity NPD5118 Phase 2
0.682 Remote Similarity NPD1258 Discontinued
0.682 Remote Similarity NPD4890 Phase 2
0.682 Remote Similarity NPD3042 Approved
0.682 Remote Similarity NPD3043 Approved
0.6811 Remote Similarity NPD8049 Phase 2
0.6805 Remote Similarity NPD1624 Phase 2
0.6795 Remote Similarity NPD429 Approved
0.6789 Remote Similarity NPD6605 Phase 3
0.6787 Remote Similarity NPD2410 Phase 2
0.6773 Remote Similarity NPD4558 Phase 2
0.6768 Remote Similarity NPD4935 Phase 2
0.6761 Remote Similarity NPD7117 Phase 2
0.6753 Remote Similarity NPD4612 Discontinued
0.6752 Remote Similarity NPD4457 Phase 2
0.6752 Remote Similarity NPD5868 Approved
0.675 Remote Similarity NPD3938 Phase 1
0.675 Remote Similarity NPD2954 Approved
0.675 Remote Similarity NPD2955 Approved
0.6749 Remote Similarity NPD4995 Approved
0.6749 Remote Similarity NPD4996 Approved
0.6749 Remote Similarity NPD2062 Phase 2
0.6747 Remote Similarity NPD7068 Approved
0.6747 Remote Similarity NPD7067 Approved
0.6746 Remote Similarity NPD6244 Phase 3
0.6746 Remote Similarity NPD6243 Phase 3
0.6741 Remote Similarity NPD978 Clinical (unspecified phase)
0.674 Remote Similarity NPD3602 Clinical (unspecified phase)
0.6739 Remote Similarity NPD2877 Clinical (unspecified phase)
0.6739 Remote Similarity NPD2876 Phase 3
0.6735 Remote Similarity NPD3838 Phase 3
0.6735 Remote Similarity NPD2757 Phase 2
0.6723 Remote Similarity NPD6856 Discontinued
0.672 Remote Similarity NPD5044 Phase 2
0.6716 Remote Similarity NPD7407 Discontinued
0.6713 Remote Similarity NPD3041 Approved
0.6711 Remote Similarity NPD4142 Discontinued
0.671 Remote Similarity NPD2450 Phase 2
0.671 Remote Similarity NPD2452 Phase 2
0.671 Remote Similarity NPD2451 Phase 2
0.671 Remote Similarity NPD2453 Phase 2
0.6708 Remote Similarity NPD4925 Approved
0.6705 Remote Similarity NPD7706 Clinical (unspecified phase)
0.6694 Remote Similarity NPD5567 Approved
0.6681 Remote Similarity NPD2824 Phase 2
0.668 Remote Similarity NPD7588 Discontinued
0.668 Remote Similarity NPD8106 Phase 2
0.6667 Remote Similarity NPD7323 Phase 2
0.6667 Remote Similarity NPD6848 Phase 1
0.6667 Remote Similarity NPD7980 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1571 Phase 2
0.6654 Remote Similarity NPD5949 Phase 3
0.6654 Remote Similarity NPD5875 Approved
0.6654 Remote Similarity NPD5878 Approved
0.6651 Remote Similarity NPD2600 Approved
0.6651 Remote Similarity NPD2601 Approved
0.6651 Remote Similarity NPD2599 Approved
0.664 Remote Similarity NPD5644 Phase 1
0.664 Remote Similarity NPD6172 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5107 Clinical (unspecified phase)
0.6627 Remote Similarity NPD4858 Phase 2
0.6627 Remote Similarity NPD6992 Phase 2
0.6627 Remote Similarity NPD5905 Phase 1
0.6626 Remote Similarity NPD1911 Approved
0.6626 Remote Similarity NPD1910 Approved
0.6624 Remote Similarity NPD5079 Phase 2
0.6624 Remote Similarity NPD5287 Discontinued
0.6623 Remote Similarity NPD3541 Clinical (unspecified phase)
0.6623 Remote Similarity NPD2130 Discontinued
0.6613 Remote Similarity NPD4316 Phase 3
0.6612 Remote Similarity NPD5829 Phase 2
0.661 Remote Similarity NPD2894 Phase 2
0.661 Remote Similarity NPD4341 Clinical (unspecified phase)
0.6607 Remote Similarity NPD3467 Clinical (unspecified phase)
0.6602 Remote Similarity NPD1480 Clinical (unspecified phase)
0.6598 Remote Similarity NPD1954 Phase 1
0.6597 Remote Similarity NPD5080 Phase 2
0.6592 Remote Similarity NPD6153 Approved
0.6586 Remote Similarity NPD3331 Phase 3
0.6586 Remote Similarity NPD6750 Phase 2
0.6585 Remote Similarity NPD1572 Phase 2
0.6581 Remote Similarity NPD8525 Approved
0.6577 Remote Similarity NPD2591 Phase 2
0.6576 Remote Similarity NPD8442 Discontinued
0.6571 Remote Similarity NPD6969 Phase 2
0.6571 Remote Similarity NPD6968 Phase 2
0.657 Remote Similarity NPD5045 Phase 2
0.6568 Remote Similarity NPD2902 Phase 2
0.6568 Remote Similarity NPD2903 Clinical (unspecified phase)
0.6566 Remote Similarity NPD7226 Phase 3
0.6566 Remote Similarity NPD7227 Phase 3
0.6562 Remote Similarity NPD6742 Phase 2
0.6562 Remote Similarity NPD6743 Phase 2
0.6561 Remote Similarity NPD6460 Clinical (unspecified phase)
0.656 Remote Similarity NPD6536 Approved
0.656 Remote Similarity NPD6537 Approved
0.6559 Remote Similarity NPD2471 Approved
0.6559 Remote Similarity NPD2472 Approved
0.6557 Remote Similarity NPD6326 Phase 2
0.6557 Remote Similarity NPD6327 Phase 1
0.6552 Remote Similarity NPD3500 Clinical (unspecified phase)
0.655 Remote Similarity NPD5911 Clinical (unspecified phase)
0.6543 Remote Similarity NPD4560 Suspended
0.654 Remote Similarity NPD5447 Phase 2
0.6535 Remote Similarity NPD5876 Phase 3
0.6535 Remote Similarity NPD7898 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5877 Phase 3
0.6535 Remote Similarity NPD7897 Phase 3
0.6531 Remote Similarity NPD5014 Discontinued
0.6527 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6524 Remote Similarity NPD2060 Approved
0.6523 Remote Similarity NPD5008 Approved
0.652 Remote Similarity NPD7660 Clinical (unspecified phase)
0.652 Remote Similarity NPD2414 Clinical (unspecified phase)
0.652 Remote Similarity NPD7729 Clinical (unspecified phase)
0.652 Remote Similarity NPD2769 Approved
0.6508 Remote Similarity NPD5883 Phase 2
0.6504 Remote Similarity NPD7689 Approved
0.6504 Remote Similarity NPD4372 Phase 1
0.6502 Remote Similarity NPD8288 Phase 2
0.6502 Remote Similarity NPD7202 Clinical (unspecified phase)
0.6502 Remote Similarity NPD3378 Clinical (unspecified phase)
0.6502 Remote Similarity NPD8287 Phase 1
0.6502 Remote Similarity NPD1964 Clinical (unspecified phase)
0.65 Remote Similarity NPD5508 Phase 1
0.65 Remote Similarity NPD5948 Phase 2
0.6496 Remote Similarity NPD2886 Approved
0.6496 Remote Similarity NPD2885 Approved
0.649 Remote Similarity NPD2349 Phase 3
0.649 Remote Similarity NPD1882 Phase 2
0.6484 Remote Similarity NPD4916 Discontinued
0.6482 Remote Similarity NPD5732 Approved
0.6482 Remote Similarity NPD5731 Approved
0.648 Remote Similarity NPD5920 Clinical (unspecified phase)
0.6477 Remote Similarity NPD4442 Phase 2
0.6476 Remote Similarity NPD3485 Clinical (unspecified phase)
0.6473 Remote Similarity NPD5539 Phase 2
0.6473 Remote Similarity NPD2311 Clinical (unspecified phase)
0.6473 Remote Similarity NPD3501 Phase 2
0.6473 Remote Similarity NPD4353 Phase 2
0.6471 Remote Similarity NPD6450 Phase 2
0.6468 Remote Similarity NPD6366 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   25168594
ChEMBL   CHEMBL1086155
ZINC  

Physicochemical Properties

Molecular Weight:  538.03
ALogP:  0.7984
MLogP:  2.56
XLogP:  3.022
# Rotatable Bonds:  15
Polar Surface Area:  85.17
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  30

Download Data

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