Natural Product: NPC121658

Natural Product ID:  NPC121658
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C12H11N3O2
Standard InCHIKey:  JCTRJRHLGOKMCF-ZSOIEALJSA-N
Standard InCHI:  InChI=1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3/b14-8-
Canonical SMILES:  O/N=Cc1cc(OC)cc(n1)c1ccccn1
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
NPO23850 Actinoalloteichus cyanogriseus Species Pseudonocardiaceae Bacteria PMID[21770434]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 263.63 nM PubChem BioAssay data set
NPT367 Cell Line MDA-N Homo sapiens GI50 1166.81 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 92.26 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 510.5 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 1442.12 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 161.06 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 123.88 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 236.05 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 575.44 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 297.85 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 741.31 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 399.02 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 1297.18 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 222.33 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 172.58 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 359.75 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 136.77 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 553.35 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 199.53 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 3076.1 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 1047.13 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 1114.29 nM PubChem BioAssay data set
NPT385 Cell Line SR Homo sapiens GI50 43.75 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 30831.88 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 663.74 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 549.54 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 128.82 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 258.82 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 227.51 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 337.29 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 503.5 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 221.31 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 1503.14 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 5533.5 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 343.56 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 46773.51 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 1282.33 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 92.04 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 301.3 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 451.86 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 194.54 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 474.24 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 2432.2 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 449.78 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 226.99 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 1180.32 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 303.39 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 447.71 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 1603.25 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 202.3 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 338.84 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 47206.3 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 178.65 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 2398.83 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 174.58 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 568.85 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 363.08 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 729.46 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 363.08 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 187.5 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 NPC121658 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 NPC14651
0.9935 High Similarity NPC476518
0.9565 High Similarity NPC266551
0.9434 High Similarity NPC111624
0.939 High Similarity NPC20249
0.9325 High Similarity NPC161887
0.9325 High Similarity NPC219963
0.9277 High Similarity NPC74382
0.9277 High Similarity NPC206251
0.9114 High Similarity NPC48192
0.9051 High Similarity NPC25899
0.8786 High Similarity NPC226202
0.8772 High Similarity NPC224327
0.8721 High Similarity NPC134079
0.8531 High Similarity NPC267928
0.8528 High Similarity NPC177404
0.8087 Intermediate Similarity NPC19872
0.8024 Intermediate Similarity NPC285635
0.7956 Intermediate Similarity NPC84853
0.7946 Intermediate Similarity NPC232727
0.7943 Intermediate Similarity NPC222592
0.7943 Intermediate Similarity NPC168486
0.7892 Intermediate Similarity NPC176538
0.7892 Intermediate Similarity NPC315957
0.7884 Intermediate Similarity NPC287208
0.7842 Intermediate Similarity NPC174672
0.7838 Intermediate Similarity NPC187558
0.7831 Intermediate Similarity NPC26872
0.7803 Intermediate Similarity NPC258773
0.7801 Intermediate Similarity NPC167860
0.7801 Intermediate Similarity NPC123976
0.7755 Intermediate Similarity NPC193267
0.7755 Intermediate Similarity NPC213530
0.7749 Intermediate Similarity NPC174758
0.7696 Intermediate Similarity NPC82548
0.7692 Intermediate Similarity NPC274982
0.7692 Intermediate Similarity NPC26850
0.7688 Intermediate Similarity NPC1527
0.7684 Intermediate Similarity NPC470164
0.7684 Intermediate Similarity NPC323345
0.7672 Intermediate Similarity NPC476138
0.7672 Intermediate Similarity NPC245816
0.7656 Intermediate Similarity NPC185782
0.7647 Intermediate Similarity NPC287437
0.7606 Intermediate Similarity NPC121772
0.7539 Intermediate Similarity NPC16452
0.7539 Intermediate Similarity NPC118832
0.7539 Intermediate Similarity NPC329708
0.7539 Intermediate Similarity NPC47059
0.7539 Intermediate Similarity NPC476581
0.7539 Intermediate Similarity NPC274291
0.7539 Intermediate Similarity NPC264166
0.7539 Intermediate Similarity NPC36229
0.7539 Intermediate Similarity NPC165349
0.7538 Intermediate Similarity NPC26679
0.7513 Intermediate Similarity NPC470799
0.7513 Intermediate Similarity NPC8022
0.75 Intermediate Similarity NPC310118
0.75 Intermediate Similarity NPC60621
0.7473 Intermediate Similarity NPC307963
0.746 Intermediate Similarity NPC476578
0.746 Intermediate Similarity NPC476582
0.746 Intermediate Similarity NPC4071
0.7446 Intermediate Similarity NPC296527
0.7419 Intermediate Similarity NPC195268
0.7419 Intermediate Similarity NPC133140
0.7418 Intermediate Similarity NPC284559
0.7405 Intermediate Similarity NPC76748
0.7403 Intermediate Similarity NPC118776
0.7394 Intermediate Similarity NPC13880
0.7382 Intermediate Similarity NPC31930
0.738 Intermediate Similarity NPC198673
0.7371 Intermediate Similarity NPC471178
0.7366 Intermediate Similarity NPC314954
0.7366 Intermediate Similarity NPC92111
0.736 Intermediate Similarity NPC112206
0.736 Intermediate Similarity NPC202605
0.7358 Intermediate Similarity NPC285558
0.7356 Intermediate Similarity NPC124542
0.7356 Intermediate Similarity NPC471177
0.7356 Intermediate Similarity NPC59779
0.7323 Intermediate Similarity NPC476287
0.7322 Intermediate Similarity NPC284678
0.7321 Intermediate Similarity NPC220523
0.7317 Intermediate Similarity NPC110151
0.7316 Intermediate Similarity NPC239954
0.7314 Intermediate Similarity NPC118511
0.731 Intermediate Similarity NPC36168
0.7308 Intermediate Similarity NPC470474
0.7302 Intermediate Similarity NPC251090
0.7273 Intermediate Similarity NPC53069
0.7273 Intermediate Similarity NPC202768
0.7273 Intermediate Similarity NPC296482
0.7263 Intermediate Similarity NPC224928
0.726 Intermediate Similarity NPC101543
0.726 Intermediate Similarity NPC469554
0.7258 Intermediate Similarity NPC110741
0.7255 Intermediate Similarity NPC122436
0.724 Intermediate Similarity NPC234197
0.7238 Intermediate Similarity NPC283152
0.7234 Intermediate Similarity NPC324149
0.7231 Intermediate Similarity NPC472111
0.7225 Intermediate Similarity NPC168911
0.7225 Intermediate Similarity NPC141053
0.7216 Intermediate Similarity NPC475774
0.7216 Intermediate Similarity NPC200836
0.7208 Intermediate Similarity NPC469589
0.7194 Intermediate Similarity NPC193238
0.7194 Intermediate Similarity NPC313189
0.7186 Intermediate Similarity NPC96405
0.7186 Intermediate Similarity NPC171409
0.7182 Intermediate Similarity NPC288943
0.7172 Intermediate Similarity NPC290689
0.7151 Intermediate Similarity NPC473764
0.7151 Intermediate Similarity NPC314940
0.715 Intermediate Similarity NPC477019
0.7135 Intermediate Similarity NPC62069
0.7128 Intermediate Similarity NPC53144
0.7127 Intermediate Similarity NPC312872
0.7119 Intermediate Similarity NPC97367
0.7119 Intermediate Similarity NPC473057
0.7112 Intermediate Similarity NPC66083
0.7107 Intermediate Similarity NPC135549
0.7105 Intermediate Similarity NPC289786
0.7101 Intermediate Similarity NPC471323
0.7098 Intermediate Similarity NPC476167
0.7098 Intermediate Similarity NPC18487
0.7097 Intermediate Similarity NPC42591
0.7092 Intermediate Similarity NPC470500
0.7085 Intermediate Similarity NPC85273
0.7077 Intermediate Similarity NPC211813
0.7075 Intermediate Similarity NPC295228
0.7065 Intermediate Similarity NPC162530
0.7062 Intermediate Similarity NPC79911
0.7059 Intermediate Similarity NPC292958
0.7059 Intermediate Similarity NPC17565
0.705 Intermediate Similarity NPC208284
0.7048 Intermediate Similarity NPC260434
0.7047 Intermediate Similarity NPC192315
0.7047 Intermediate Similarity NPC212213
0.7043 Intermediate Similarity NPC84478
0.7041 Intermediate Similarity NPC470404
0.7041 Intermediate Similarity NPC470394
0.7041 Intermediate Similarity NPC470403
0.7041 Intermediate Similarity NPC223427
0.7017 Intermediate Similarity NPC252590
0.7016 Intermediate Similarity NPC329541
0.701 Intermediate Similarity NPC173080
0.701 Intermediate Similarity NPC197141
0.7006 Intermediate Similarity NPC120798
0.7005 Intermediate Similarity NPC322482
0.7005 Intermediate Similarity NPC475070
0.7 Intermediate Similarity NPC5145
0.7 Intermediate Similarity NPC151489
0.6995 Remote Similarity NPC170114
0.6989 Remote Similarity NPC176127
0.6989 Remote Similarity NPC48938
0.6988 Remote Similarity NPC328029
0.698 Remote Similarity NPC471080
0.698 Remote Similarity NPC469592
0.6968 Remote Similarity NPC204385
0.6961 Remote Similarity NPC473513
0.6959 Remote Similarity NPC470395
0.6957 Remote Similarity NPC216612
0.6951 Remote Similarity NPC174421
0.6949 Remote Similarity NPC84508
0.6946 Remote Similarity NPC470549
0.6943 Remote Similarity NPC194967
0.694 Remote Similarity NPC95898
0.6931 Remote Similarity NPC264176
0.6931 Remote Similarity NPC46580
0.6931 Remote Similarity NPC316981
0.6931 Remote Similarity NPC472098
0.6927 Remote Similarity NPC263439
0.6923 Remote Similarity NPC65277
0.6919 Remote Similarity NPC42979
0.6919 Remote Similarity NPC472168
0.6915 Remote Similarity NPC11464
0.6915 Remote Similarity NPC314002
0.6915 Remote Similarity NPC470020
0.6904 Remote Similarity NPC295898
0.6902 Remote Similarity NPC203754
0.6902 Remote Similarity NPC150048
0.6902 Remote Similarity NPC224764
0.69 Remote Similarity NPC475910
0.6897 Remote Similarity NPC266931
0.6895 Remote Similarity NPC472289
0.6888 Remote Similarity NPC329793
0.6884 Remote Similarity NPC476124
0.6884 Remote Similarity NPC476121
0.6884 Remote Similarity NPC235685
0.6879 Remote Similarity NPC470111
0.6866 Remote Similarity NPC99891
0.6862 Remote Similarity NPC204717
0.6856 Remote Similarity NPC473053
0.6853 Remote Similarity NPC470586
0.6852 Remote Similarity NPC101350
0.6851 Remote Similarity NPC108469
0.6849 Remote Similarity NPC472434
0.6845 Remote Similarity NPC469594

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC121658 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
0.8 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD1740 Approved
0.7892 Intermediate Similarity NPD1739 Approved
0.7826 Intermediate Similarity NPD1622 Discontinued
0.7802 Intermediate Similarity NPD4372 Phase 1
0.7725 Intermediate Similarity NPD4795 Phase 2
0.7705 Intermediate Similarity NPD6569 Phase 2
0.7692 Intermediate Similarity NPD4081 Clinical (unspecified phase)
0.768 Intermediate Similarity NPD1034 Phase 3
0.768 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD3477 Phase 2
0.765 Intermediate Similarity NPD2334 Discontinued
0.7598 Intermediate Similarity NPD3386 Phase 2
0.7543 Intermediate Similarity NPD565 Phase 2
0.7543 Intermediate Similarity NPD5320 Approved
0.7543 Intermediate Similarity NPD5319 Approved
0.7539 Intermediate Similarity NPD4122 Approved
0.7539 Intermediate Similarity NPD31 Approved
0.7539 Intermediate Similarity NPD4034 Approved
0.7539 Intermediate Similarity NPD4038 Approved
0.7539 Intermediate Similarity NPD32 Approved
0.7539 Intermediate Similarity NPD4039 Approved
0.7539 Intermediate Similarity NPD4035 Approved
0.7539 Intermediate Similarity NPD4033 Approved
0.7539 Intermediate Similarity NPD4036 Approved
0.7539 Intermediate Similarity NPD4037 Approved
0.7527 Intermediate Similarity NPD4375 Approved
0.7527 Intermediate Similarity NPD3396 Approved
0.7527 Intermediate Similarity NPD3395 Approved
0.7516 Intermediate Similarity NPD1095 Clinical (unspecified phase)
0.7513 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4204 Approved
0.75 Intermediate Similarity NPD4203 Approved
0.7486 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD4889 Approved
0.7473 Intermediate Similarity NPD1038 Approved
0.7456 Intermediate Similarity NPD9596 Approved
0.7456 Intermediate Similarity NPD9595 Approved
0.7442 Intermediate Similarity NPD604 Clinical (unspecified phase)
0.7433 Intermediate Similarity NPD1602 Discontinued
0.7429 Intermediate Similarity NPD424 Approved
0.7429 Intermediate Similarity NPD425 Approved
0.7419 Intermediate Similarity NPD3923 Approved
0.7419 Intermediate Similarity NPD3924 Approved
0.7419 Intermediate Similarity NPD3921 Approved
0.7419 Intermediate Similarity NPD3922 Approved
0.7416 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.738 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD1856 Discontinued
0.7354 Intermediate Similarity NPD2952 Discontinued
0.7348 Intermediate Similarity NPD2599 Approved
0.7348 Intermediate Similarity NPD2601 Approved
0.7348 Intermediate Similarity NPD2600 Approved
0.7337 Intermediate Similarity NPD3039 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4072 Approved
0.7333 Intermediate Similarity NPD4071 Approved
0.7312 Intermediate Similarity NPD715 Phase 3
0.73 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD9705 Discontinued
0.7299 Intermediate Similarity NPD112 Approved
0.7283 Intermediate Similarity NPD2582 Approved
0.7283 Intermediate Similarity NPD2581 Approved
0.7283 Intermediate Similarity NPD9574 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD2958 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD926 Approved
0.7273 Intermediate Similarity NPD3815 Phase 1
0.7273 Intermediate Similarity NPD925 Approved
0.7273 Intermediate Similarity NPD3816 Phase 1
0.7263 Intermediate Similarity NPD2959 Phase 3
0.7238 Intermediate Similarity NPD1032 Phase 2
0.7231 Intermediate Similarity NPD5530 Phase 1
0.7207 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD6393 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD4551 Phase 2
0.7194 Intermediate Similarity NPD1392 Approved
0.7191 Intermediate Similarity NPD2781 Approved
0.7188 Intermediate Similarity NPD5999 Phase 2
0.7188 Intermediate Similarity NPD4548 Discontinued
0.7184 Intermediate Similarity NPD1603 Discontinued
0.7175 Intermediate Similarity NPD2782 Approved
0.7175 Intermediate Similarity NPD2780 Approved
0.7173 Intermediate Similarity NPD4899 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD4021 Phase 2
0.7158 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5601 Phase 2
0.7143 Intermediate Similarity NPD5751 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5255 Approved
0.7136 Intermediate Similarity NPD3570 Phase 2
0.7136 Intermediate Similarity NPD4131 Phase 3
0.7126 Intermediate Similarity NPD1649 Discontinued
0.7113 Intermediate Similarity NPD1621 Discontinued
0.7112 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD687 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD7069 Discontinued
0.7083 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD4881 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD2816 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD1951 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD2314 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD2772 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6500 Approved
0.7059 Intermediate Similarity NPD6501 Approved
0.7043 Intermediate Similarity NPD3569 Discontinued
0.7043 Intermediate Similarity NPD1334 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD5513 Phase 2
0.703 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7028 Intermediate Similarity NPD2757 Phase 2
0.7024 Intermediate Similarity NPD6856 Discontinued
0.7024 Intermediate Similarity NPD8479 Phase 2
0.7019 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD7675 Phase 3
0.7019 Intermediate Similarity NPD7674 Phase 3
0.7019 Intermediate Similarity NPD7426 Phase 1
0.701 Intermediate Similarity NPD3825 Phase 3
0.7006 Intermediate Similarity NPD1418 Phase 2
0.7005 Intermediate Similarity NPD3397 Phase 2
0.7005 Intermediate Similarity NPD6306 Phase 2
0.7 Intermediate Similarity NPD4148 Approved
0.6985 Remote Similarity NPD5528 Clinical (unspecified phase)
0.6985 Remote Similarity NPD2739 Clinical (unspecified phase)
0.6985 Remote Similarity NPD5529 Phase 1
0.6985 Remote Similarity NPD6366 Clinical (unspecified phase)
0.6968 Remote Similarity NPD7757 Approved
0.6968 Remote Similarity NPD7758 Approved
0.6967 Remote Similarity NPD2062 Phase 2
0.6965 Remote Similarity NPD5067 Phase 2
0.6965 Remote Similarity NPD5066 Phase 2
0.6965 Remote Similarity NPD2540 Clinical (unspecified phase)
0.6961 Remote Similarity NPD4724 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6947 Remote Similarity NPD8063 Discontinued
0.694 Remote Similarity NPD9690 Approved
0.6939 Remote Similarity NPD5259 Phase 3
0.6932 Remote Similarity NPD1274 Clinical (unspecified phase)
0.6931 Remote Similarity NPD2848 Discontinued
0.6927 Remote Similarity NPD6361 Phase 2
0.6927 Remote Similarity NPD6568 Discontinued
0.6927 Remote Similarity NPD9695 Approved
0.6923 Remote Similarity NPD9548 Phase 2
0.6919 Remote Similarity NPD3920 Phase 2
0.6912 Remote Similarity NPD8510 Clinical (unspecified phase)
0.6911 Remote Similarity NPD1286 Suspended
0.6909 Remote Similarity NPD6172 Clinical (unspecified phase)
0.69 Remote Similarity NPD5658 Approved
0.6898 Remote Similarity NPD2921 Clinical (unspecified phase)
0.689 Remote Similarity NPD1258 Discontinued
0.6885 Remote Similarity NPD2076 Approved
0.6885 Remote Similarity NPD2077 Approved
0.6881 Remote Similarity NPD3939 Suspended
0.6881 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6879 Remote Similarity NPD4703 Approved
0.6879 Remote Similarity NPD1661 Suspended
0.6879 Remote Similarity NPD4702 Approved
0.6878 Remote Similarity NPD4920 Clinical (unspecified phase)
0.6878 Remote Similarity NPD4919 Phase 3
0.6878 Remote Similarity NPD4921 Phase 3
0.6857 Remote Similarity NPD5640 Discontinued
0.6857 Remote Similarity NPD9706 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5045 Phase 2
0.6842 Remote Similarity NPD3717 Discontinued
0.684 Remote Similarity NPD6968 Phase 2
0.684 Remote Similarity NPD8512 Phase 3
0.684 Remote Similarity NPD6969 Phase 2
0.6839 Remote Similarity NPD802 Phase 2
0.6837 Remote Similarity NPD1259 Discontinued
0.6837 Remote Similarity NPD1768 Approved
0.6833 Remote Similarity NPD862 Approved
0.6833 Remote Similarity NPD861 Approved
0.6833 Remote Similarity NPD863 Approved
0.6827 Remote Similarity NPD6298 Discontinued
0.6822 Remote Similarity NPD2471 Approved
0.6822 Remote Similarity NPD4306 Phase 1
0.6822 Remote Similarity NPD2472 Approved
0.6821 Remote Similarity NPD4673 Phase 2
0.682 Remote Similarity NPD1927 Discontinued
0.6816 Remote Similarity NPD2189 Approved
0.6816 Remote Similarity NPD2187 Approved
0.6812 Remote Similarity NPD3402 Phase 1
0.681 Remote Similarity NPD3938 Phase 1
0.6804 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6798 Remote Similarity NPD949 Phase 1
0.6796 Remote Similarity NPD3440 Clinical (unspecified phase)
0.6796 Remote Similarity NPD3326 Clinical (unspecified phase)
0.6789 Remote Similarity NPD5256 Discontinued
0.6774 Remote Similarity NPD7729 Clinical (unspecified phase)
0.6771 Remote Similarity NPD3321 Discontinued
0.6771 Remote Similarity NPD2410 Phase 2
0.6769 Remote Similarity NPD6550 Discontinued
0.6769 Remote Similarity NPD2482 Clinical (unspecified phase)
0.6769 Remote Similarity NPD1704 Clinical (unspecified phase)
0.6766 Remote Similarity NPD7222 Phase 2
0.6763 Remote Similarity NPD4429 Discontinued
0.6763 Remote Similarity NPD2440 Phase 3
0.6763 Remote Similarity NPD2441 Approved
0.6761 Remote Similarity NPD3302 Clinical (unspecified phase)
0.6761 Remote Similarity NPD2882 Phase 1

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL1970645
ZINC  

Physicochemical Properties

Molecular Weight:  229.09
ALogP:  -0.2023
MLogP:  2.23
XLogP:  2.576
# Rotatable Bonds:  5
Polar Surface Area:  67.6
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs