Natural Product: NPC11017

Natural Product ID:  NPC11017
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C23H25NO
Standard InCHIKey:  YPSWCORASQDCJM-MFEFFIJZSA-N
Standard InCHI:  InChI=1S/C23H25NO/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,25-21(13)19)10-9-17(16)22(24,2)3/h5-8,11,16-17H,9-10,12H2,1-4H3/t16-,17+,23-/m0/s1
Canonical SMILES:  Cc1cc2c3ccccc3n3c2c2c1O[C@@]1(C)CC[C@H]([C@@H]2C1)C3(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
NPO3118 Murraya euchrestifolia Species Rutaceae Eukaryota stem bark;fruit PMID[10924160]
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT404 Cell Line CCRF-CEM Homo sapiens LC50 < 25118.86 nM 10924160
NPT2 Others Unspecified LC50 < 25118.86 nM 10924160
NPT111 Cell Line K562 Homo sapiens LC50 < 25118.86 nM 10924160
NPT112 Cell Line MOLT-4 Homo sapiens LC50 < 25118.86 nM 10924160
NPT385 Cell Line SR Homo sapiens LC50 < 25118.86 nM 10924160
NPT81 Cell Line A549 Homo sapiens LC50 < 25118.86 nM 10924160
NPT394 Cell Line EKVX Homo sapiens LC50 < 25118.86 nM 10924160
NPT732 Cell Line HOP-18 Homo sapiens LC50 < 25118.86 nM 10924160
NPT379 Cell Line HOP-62 Homo sapiens LC50 < 25118.86 nM 10924160
NPT372 Cell Line HOP-92 Homo sapiens LC50 < 25118.86 nM 10924160
NPT405 Cell Line NCI-H226 Homo sapiens LC50 < 25118.86 nM 10924160
NPT370 Cell Line NCI-H23 Homo sapiens LC50 < 25118.86 nM 10924160
NPT388 Cell Line NCI-H322M Homo sapiens LC50 < 25118.86 nM 10924160
NPT397 Cell Line NCI-H460 Homo sapiens LC50 < 25118.86 nM 10924160
NPT455 Cell Line NCI-H522 Homo sapiens LC50 < 25118.86 nM 10924160
NPT572 Cell Line DMS-273 Homo sapiens LC50 < 25118.86 nM 10924160
NPT407 Cell Line COLO 205 Homo sapiens LC50 < 25118.86 nM 10924160
NPT579 Cell Line DLD-1 Homo sapiens LC50 < 25118.86 nM 10924160
NPT391 Cell Line HCC 2998 Homo sapiens LC50 < 25118.86 nM 10924160
NPT393 Cell Line HCT-116 Homo sapiens LC50 < 25118.86 nM 10924160
NPT148 Cell Line HCT-15 Homo sapiens LC50 < 25118.86 nM 10924160
NPT139 Cell Line HT-29 Homo sapiens LC50 < 25118.86 nM 10924160
NPT386 Cell Line KM12 Homo sapiens LC50 < 25118.86 nM 10924160
NPT575 Cell Line KM-20L2 Homo sapiens LC50 < 25118.86 nM 10924160
NPT323 Cell Line SW-620 Homo sapiens LC50 < 25118.86 nM 10924160
NPT395 Cell Line SF-268 Homo sapiens LC50 < 25118.86 nM 10924160
NPT399 Cell Line SF-295 Homo sapiens LC50 < 25118.86 nM 10924160
NPT374 Cell Line SF-539 Homo sapiens LC50 < 25118.86 nM 10924160
NPT383 Cell Line SNB-19 Homo sapiens LC50 < 25118.86 nM 10924160
NPT392 Cell Line SNB-75 Homo sapiens LC50 < 25118.86 nM 10924160
NPT380 Cell Line U-251 Homo sapiens LC50 < 25118.86 nM 10924160
NPT574 Cell Line XF498 Homo sapiens LC50 < 25118.86 nM 10924160
NPT390 Cell Line LOX IMVI Homo sapiens LC50 < 25118.86 nM 10924160
NPT375 Cell Line Malme-3M Homo sapiens LC50 < 25118.86 nM 10924160
NPT387 Cell Line M14 Homo sapiens LC50 < 25118.86 nM 10924160
NPT573 Cell Line M19-MEL Homo sapiens LC50 < 25118.86 nM 10924160
NPT147 Cell Line SK-MEL-2 Homo sapiens LC50 < 25118.86 nM 10924160
NPT170 Cell Line SK-MEL-28 Homo sapiens LC50 < 25118.86 nM 10924160
NPT373 Cell Line SK-MEL-5 Homo sapiens LC50 < 25118.86 nM 10924160
NPT403 Cell Line UACC-257 Homo sapiens LC50 < 25118.86 nM 10924160
NPT398 Cell Line UACC-62 Homo sapiens LC50 < 25118.86 nM 10924160
NPT458 Cell Line IGROV-1 Homo sapiens LC50 < 25118.86 nM 10924160
NPT146 Cell Line SK-OV-3 Homo sapiens LC50 < 25118.86 nM 10924160
NPT401 Cell Line 786-0 Homo sapiens LC50 < 25118.86 nM 10924160
NPT376 Cell Line A498 Homo sapiens LC50 < 25118.86 nM 10924160
NPT369 Cell Line ACHN Homo sapiens LC50 < 25118.86 nM 10924160
NPT308 Cell Line CAKI-1 Homo sapiens LC50 < 25118.86 nM 10924160
NPT406 Cell Line RXF 393 Homo sapiens LC50 < 25118.86 nM 10924160
NPT368 Cell Line SN12C Homo sapiens LC50 < 25118.86 nM 10924160
NPT384 Cell Line TK-10 Homo sapiens LC50 < 25118.86 nM 10924160
NPT371 Cell Line UO-31 Homo sapiens LC50 < 25118.86 nM 10924160
NPT306 Cell Line PC-3 Homo sapiens LC50 < 25118.86 nM 10924160
NPT90 Cell Line DU-145 Homo sapiens LC50 < 25118.86 nM 10924160
NPT83 Cell Line MCF7 Homo sapiens LC50 < 25118.86 nM 10924160
NPT82 Cell Line MDA-MB-231 Homo sapiens LC50 < 25118.86 nM 10924160
NPT402 Cell Line Hs-578T Homo sapiens LC50 < 25118.86 nM 10924160
NPT400 Cell Line MDA-MB-435 Homo sapiens LC50 < 25118.86 nM 10924160
NPT367 Cell Line MDA-N Homo sapiens LC50 < 25118.86 nM 10924160
NPT457 Cell Line BT-549 Homo sapiens LC50 < 25118.86 nM 10924160
NPT396 Cell Line T47D Homo sapiens LC50 < 25118.86 nM 10924160

  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 NPC11017 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
0.962 High Similarity NPC470931
0.9293 High Similarity NPC267423
0.8865 High Similarity NPC205934
0.8865 High Similarity NPC43787
0.8817 High Similarity NPC70259
0.8783 High Similarity NPC476044
0.8723 High Similarity NPC72211
0.8594 High Similarity NPC162484
0.8564 High Similarity NPC201697
0.8542 High Similarity NPC291535
0.8542 High Similarity NPC475085
0.8542 High Similarity NPC475112
0.841 Intermediate Similarity NPC476106
0.8342 Intermediate Similarity NPC48353
0.8325 Intermediate Similarity NPC477533
0.8281 Intermediate Similarity NPC70956
0.8281 Intermediate Similarity NPC243834
0.8272 Intermediate Similarity NPC131017
0.8265 Intermediate Similarity NPC470930
0.8154 Intermediate Similarity NPC329747
0.8107 Intermediate Similarity NPC477532
0.81 Intermediate Similarity NPC209769
0.809 Intermediate Similarity NPC193777
0.8073 Intermediate Similarity NPC114335
0.8073 Intermediate Similarity NPC141915
0.8073 Intermediate Similarity NPC280964
0.8057 Intermediate Similarity NPC475253
0.8048 Intermediate Similarity NPC252251
0.8009 Intermediate Similarity NPC209174
0.7989 Intermediate Similarity NPC190007
0.7989 Intermediate Similarity NPC26850
0.7972 Intermediate Similarity NPC477531
0.7947 Intermediate Similarity NPC94943
0.7871 Intermediate Similarity NPC475910
0.7847 Intermediate Similarity NPC198503
0.7842 Intermediate Similarity NPC212535
0.7837 Intermediate Similarity NPC473179
0.7821 Intermediate Similarity NPC26872
0.7812 Intermediate Similarity NPC204385
0.7811 Intermediate Similarity NPC16452
0.7811 Intermediate Similarity NPC36229
0.7811 Intermediate Similarity NPC285558
0.7811 Intermediate Similarity NPC476581
0.7807 Intermediate Similarity NPC312872
0.7805 Intermediate Similarity NPC264176
0.7801 Intermediate Similarity NPC84478
0.7766 Intermediate Similarity NPC288943
0.7761 Intermediate Similarity NPC469440
0.7746 Intermediate Similarity NPC473185
0.7736 Intermediate Similarity NPC473449
0.7727 Intermediate Similarity NPC153042
0.7725 Intermediate Similarity NPC283152
0.7718 Intermediate Similarity NPC53069
0.7718 Intermediate Similarity NPC296482
0.7718 Intermediate Similarity NPC202768
0.7703 Intermediate Similarity NPC23614
0.7703 Intermediate Similarity NPC100079
0.77 Intermediate Similarity NPC329793
0.7685 Intermediate Similarity NPC472111
0.7662 Intermediate Similarity NPC31930
0.7659 Intermediate Similarity NPC469589
0.7659 Intermediate Similarity NPC473181
0.7641 Intermediate Similarity NPC242928
0.7635 Intermediate Similarity NPC137929
0.7635 Intermediate Similarity NPC164374
0.7633 Intermediate Similarity NPC473180
0.7633 Intermediate Similarity NPC251160
0.763 Intermediate Similarity NPC86078
0.7621 Intermediate Similarity NPC199667
0.7621 Intermediate Similarity NPC167860
0.7621 Intermediate Similarity NPC123976
0.7617 Intermediate Similarity NPC227908
0.7604 Intermediate Similarity NPC206201
0.759 Intermediate Similarity NPC66083
0.7585 Intermediate Similarity NPC208284
0.7583 Intermediate Similarity NPC46451
0.7579 Intermediate Similarity NPC56618
0.7576 Intermediate Similarity NPC279401
0.7576 Intermediate Similarity NPC79293
0.7563 Intermediate Similarity NPC469390
0.7562 Intermediate Similarity NPC476582
0.7562 Intermediate Similarity NPC4071
0.7562 Intermediate Similarity NPC476578
0.7561 Intermediate Similarity NPC249583
0.7561 Intermediate Similarity NPC4687
0.756 Intermediate Similarity NPC470549
0.756 Intermediate Similarity NPC235076
0.7548 Intermediate Similarity NPC171409
0.7548 Intermediate Similarity NPC94157
0.7548 Intermediate Similarity NPC308137
0.7548 Intermediate Similarity NPC112206
0.7548 Intermediate Similarity NPC310211
0.7548 Intermediate Similarity NPC96405
0.7548 Intermediate Similarity NPC202605
0.7538 Intermediate Similarity NPC61350
0.7537 Intermediate Similarity NPC295898
0.7536 Intermediate Similarity NPC290689
0.7536 Intermediate Similarity NPC473041
0.7535 Intermediate Similarity NPC202503
0.7534 Intermediate Similarity NPC277351
0.7534 Intermediate Similarity NPC473184
0.7526 Intermediate Similarity NPC62069
0.7524 Intermediate Similarity NPC170114
0.7512 Intermediate Similarity NPC149471
0.7512 Intermediate Similarity NPC280799
0.7512 Intermediate Similarity NPC271215
0.7512 Intermediate Similarity NPC478074
0.75 Intermediate Similarity NPC223427
0.7489 Intermediate Similarity NPC473182
0.7488 Intermediate Similarity NPC169402
0.7488 Intermediate Similarity NPC174758
0.7488 Intermediate Similarity NPC232727
0.7476 Intermediate Similarity NPC116238
0.7476 Intermediate Similarity NPC313189
0.7466 Intermediate Similarity NPC6786
0.7466 Intermediate Similarity NPC473183
0.7465 Intermediate Similarity NPC150239
0.7462 Intermediate Similarity NPC246700
0.7454 Intermediate Similarity NPC200888
0.7453 Intermediate Similarity NPC46561
0.7452 Intermediate Similarity NPC11464
0.7451 Intermediate Similarity NPC135887
0.7451 Intermediate Similarity NPC199277
0.7441 Intermediate Similarity NPC183407
0.7432 Intermediate Similarity NPC131486
0.7429 Intermediate Similarity NPC469592
0.7429 Intermediate Similarity NPC471080
0.7423 Intermediate Similarity NPC474798
0.7416 Intermediate Similarity NPC87413
0.7404 Intermediate Similarity NPC174672
0.7402 Intermediate Similarity NPC470586
0.74 Intermediate Similarity NPC475190
0.7395 Intermediate Similarity NPC280272
0.7395 Intermediate Similarity NPC162748
0.7389 Intermediate Similarity NPC475666
0.7389 Intermediate Similarity NPC128823
0.7385 Intermediate Similarity NPC176127
0.7385 Intermediate Similarity NPC476997
0.7382 Intermediate Similarity NPC474409
0.7381 Intermediate Similarity NPC472098
0.7374 Intermediate Similarity NPC128751
0.7371 Intermediate Similarity NPC247803
0.7371 Intermediate Similarity NPC469594
0.7368 Intermediate Similarity NPC471304
0.7368 Intermediate Similarity NPC188420
0.7368 Intermediate Similarity NPC470020
0.7358 Intermediate Similarity NPC148183
0.7358 Intermediate Similarity NPC152768
0.7353 Intermediate Similarity NPC234197
0.7353 Intermediate Similarity NPC477019
0.7352 Intermediate Similarity NPC476996
0.7352 Intermediate Similarity NPC476998
0.735 Intermediate Similarity NPC195268
0.735 Intermediate Similarity NPC133140
0.7345 Intermediate Similarity NPC81939
0.734 Intermediate Similarity NPC118511
0.7337 Intermediate Similarity NPC469497
0.7337 Intermediate Similarity NPC106833
0.7336 Intermediate Similarity NPC213530
0.7336 Intermediate Similarity NPC193267
0.7336 Intermediate Similarity NPC133609
0.733 Intermediate Similarity NPC329631
0.7324 Intermediate Similarity NPC305984
0.7323 Intermediate Similarity NPC473177
0.732 Intermediate Similarity NPC88363
0.7318 Intermediate Similarity NPC476999
0.7315 Intermediate Similarity NPC118121
0.7313 Intermediate Similarity NPC473178
0.731 Intermediate Similarity NPC473189
0.7308 Intermediate Similarity NPC135549
0.7306 Intermediate Similarity NPC476994
0.7304 Intermediate Similarity NPC189079
0.7302 Intermediate Similarity NPC174760
0.7302 Intermediate Similarity NPC132642
0.7294 Intermediate Similarity NPC2497
0.7292 Intermediate Similarity NPC471294
0.7287 Intermediate Similarity NPC177404
0.7277 Intermediate Similarity NPC274982
0.7265 Intermediate Similarity NPC473187
0.726 Intermediate Similarity NPC304183
0.7256 Intermediate Similarity NPC208084
0.7248 Intermediate Similarity NPC21638
0.7241 Intermediate Similarity NPC13880
0.7231 Intermediate Similarity NPC72980
0.7222 Intermediate Similarity NPC472099
0.7222 Intermediate Similarity NPC469439
0.7222 Intermediate Similarity NPC128115
0.722 Intermediate Similarity NPC287437
0.7212 Intermediate Similarity NPC477066
0.7209 Intermediate Similarity NPC96321
0.7206 Intermediate Similarity NPC474188
0.7204 Intermediate Similarity NPC219664
0.7198 Intermediate Similarity NPC244543
0.719 Intermediate Similarity NPC39679
0.7189 Intermediate Similarity NPC310118
0.7181 Intermediate Similarity NPC478081
0.7179 Intermediate Similarity NPC285941
0.7177 Intermediate Similarity NPC45190
0.7177 Intermediate Similarity NPC300156
0.7163 Intermediate Similarity NPC475774

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC11017 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
0.8177 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7222 Phase 2
0.799 Intermediate Similarity NPD4418 Discontinued
0.7783 Intermediate Similarity NPD5658 Approved
0.7778 Intermediate Similarity NPD3920 Phase 2
0.7742 Intermediate Similarity NPD4724 Clinical (unspecified phase)
0.7739 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7734 Intermediate Similarity NPD7452 Approved
0.7734 Intermediate Similarity NPD7453 Approved
0.7734 Intermediate Similarity NPD5429 Discontinued
0.7718 Intermediate Similarity NPD3815 Phase 1
0.7718 Intermediate Similarity NPD3816 Phase 1
0.7685 Intermediate Similarity NPD5530 Phase 1
0.7685 Intermediate Similarity NPD6150 Discontinued
0.7656 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.7617 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD3003 Approved
0.7588 Intermediate Similarity NPD6550 Discontinued
0.7583 Intermediate Similarity NPD3763 Approved
0.7538 Intermediate Similarity NPD6590 Discontinued
0.7538 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7537 Intermediate Similarity NPD6208 Discontinued
0.7524 Intermediate Similarity NPD7671 Approved
0.7524 Intermediate Similarity NPD7672 Approved
0.75 Intermediate Similarity NPD5512 Phase 3
0.75 Intermediate Similarity NPD7194 Discontinued
0.7476 Intermediate Similarity NPD5902 Approved
0.7476 Intermediate Similarity NPD5903 Approved
0.7475 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD5913 Phase 3
0.7465 Intermediate Similarity NPD7678 Clinical (unspecified phase)
0.7454 Intermediate Similarity NPD7675 Phase 3
0.7454 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7454 Intermediate Similarity NPD7674 Phase 3
0.744 Intermediate Similarity NPD2916 Discontinued
0.7437 Intermediate Similarity NPD6569 Phase 2
0.7427 Intermediate Similarity NPD4305 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD4203 Approved
0.7423 Intermediate Similarity NPD4204 Approved
0.7409 Intermediate Similarity NPD6494 Phase 2
0.7409 Intermediate Similarity NPD7558 Phase 2
0.7398 Intermediate Similarity NPD4889 Approved
0.7393 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD7069 Discontinued
0.7379 Intermediate Similarity NPD3946 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD6988 Phase 1
0.7373 Intermediate Similarity NPD7426 Phase 1
0.7366 Intermediate Similarity NPD6790 Phase 1
0.7363 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD6251 Discontinued
0.735 Intermediate Similarity NPD3924 Approved
0.735 Intermediate Similarity NPD3922 Approved
0.735 Intermediate Similarity NPD3923 Approved
0.735 Intermediate Similarity NPD3921 Approved
0.7333 Intermediate Similarity NPD6220 Phase 3
0.733 Intermediate Similarity NPD6741 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD6991 Approved
0.731 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD7555 Discontinued
0.7304 Intermediate Similarity NPD1768 Approved
0.7302 Intermediate Similarity NPD5930 Phase 3
0.729 Intermediate Similarity NPD6985 Discontinued
0.729 Intermediate Similarity NPD7395 Discontinued
0.7261 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD7719 Discontinued
0.7241 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD3477 Phase 2
0.724 Intermediate Similarity NPD6962 Phase 2
0.7235 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5070 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD4795 Phase 2
0.7212 Intermediate Similarity NPD3397 Phase 2
0.7206 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD6246 Approved
0.7164 Intermediate Similarity NPD6281 Approved
0.7157 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD7417 Discontinued
0.7136 Intermediate Similarity NPD3837 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5632 Approved
0.7129 Intermediate Similarity NPD2334 Discontinued
0.7104 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD5256 Discontinued
0.7097 Intermediate Similarity NPD3402 Phase 1
0.7095 Intermediate Similarity NPD8403 Phase 1
0.7093 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD3503 Approved
0.7092 Intermediate Similarity NPD1032 Phase 2
0.7092 Intermediate Similarity NPD3504 Approved
0.7089 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD5488 Discontinued
0.7087 Intermediate Similarity NPD8359 Phase 2
0.7087 Intermediate Similarity NPD7889 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD5164 Discontinued
0.7076 Intermediate Similarity NPD7956 Approved
0.7076 Intermediate Similarity NPD7955 Approved
0.7062 Intermediate Similarity NPD1392 Approved
0.7059 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD3825 Phase 3
0.7047 Intermediate Similarity NPD4986 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6375 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD4952 Phase 3
0.7033 Intermediate Similarity NPD6975 Discontinued
0.7028 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD1739 Approved
0.7019 Intermediate Similarity NPD1740 Approved
0.7018 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD8016 Phase 3
0.7018 Intermediate Similarity NPD3875 Discontinued
0.7014 Intermediate Similarity NPD6247 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD5066 Phase 2
0.7009 Intermediate Similarity NPD5067 Phase 2
0.7005 Intermediate Similarity NPD6159 Phase 2
0.7005 Intermediate Similarity NPD6476 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD6158 Phase 2
0.7005 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD2882 Phase 1
0.7 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.6996 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6986 Remote Similarity NPD4511 Phase 1
0.6986 Remote Similarity NPD6592 Clinical (unspecified phase)
0.6983 Remote Similarity NPD8364 Approved
0.6983 Remote Similarity NPD8358 Approved
0.6983 Remote Similarity NPD8363 Approved
0.6977 Remote Similarity NPD4927 Discontinued
0.6976 Remote Similarity NPD1038 Approved
0.6976 Remote Similarity NPD4551 Phase 2
0.6974 Remote Similarity NPD7729 Clinical (unspecified phase)
0.697 Remote Similarity NPD6230 Discontinued
0.6967 Remote Similarity NPD4038 Approved
0.6967 Remote Similarity NPD4035 Approved
0.6967 Remote Similarity NPD4039 Approved
0.6967 Remote Similarity NPD4037 Approved
0.6967 Remote Similarity NPD31 Approved
0.6967 Remote Similarity NPD4033 Approved
0.6967 Remote Similarity NPD4034 Approved
0.6967 Remote Similarity NPD32 Approved
0.6967 Remote Similarity NPD4122 Approved
0.6967 Remote Similarity NPD4036 Approved
0.6964 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5612 Discontinued
0.6955 Remote Similarity NPD4881 Clinical (unspecified phase)
0.6951 Remote Similarity NPD3259 Approved
0.6947 Remote Similarity NPD4373 Phase 2
0.6939 Remote Similarity NPD7418 Discontinued
0.6938 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6934 Remote Similarity NPD3842 Clinical (unspecified phase)
0.6931 Remote Similarity NPD2917 Approved
0.693 Remote Similarity NPD4502 Phase 2
0.6929 Remote Similarity NPD7803 Approved
0.6927 Remote Similarity NPD1685 Approved
0.6927 Remote Similarity NPD4372 Phase 1
0.6927 Remote Similarity NPD1684 Approved
0.6926 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7219 Approved
0.6923 Remote Similarity NPD7221 Approved
0.692 Remote Similarity NPD5559 Phase 2
0.6919 Remote Similarity NPD6324 Phase 1
0.6919 Remote Similarity NPD5751 Clinical (unspecified phase)
0.6916 Remote Similarity NPD6964 Approved
0.6916 Remote Similarity NPD6963 Approved
0.6912 Remote Similarity NPD5293 Phase 2
0.6903 Remote Similarity NPD4885 Approved
0.6901 Remote Similarity NPD6773 Clinical (unspecified phase)
0.69 Remote Similarity NPD3037 Phase 1
0.6897 Remote Similarity NPD4349 Approved
0.6897 Remote Similarity NPD2749 Discontinued
0.6897 Remote Similarity NPD1033 Clinical (unspecified phase)
0.6897 Remote Similarity NPD4350 Approved
0.6897 Remote Similarity NPD1034 Phase 3
0.6895 Remote Similarity NPD6568 Discontinued
0.6893 Remote Similarity NPD6361 Phase 2
0.6884 Remote Similarity NPD7479 Phase 2
0.6883 Remote Similarity NPD8467 Approved
0.6883 Remote Similarity NPD6716 Phase 1
0.6883 Remote Similarity NPD8466 Approved
0.6883 Remote Similarity NPD8465 Approved
0.6881 Remote Similarity NPD6147 Clinical (unspecified phase)
0.6878 Remote Similarity NPD6656 Clinical (unspecified phase)
0.6878 Remote Similarity NPD6357 Discontinued
0.6875 Remote Similarity NPD4673 Phase 2
0.6872 Remote Similarity NPD5669 Clinical (unspecified phase)
0.6872 Remote Similarity NPD6477 Clinical (unspecified phase)
0.687 Remote Similarity NPD4858 Phase 2
0.6866 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6854 Remote Similarity NPD6245 Phase 2
0.6854 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6854 Remote Similarity NPD5601 Phase 2
0.6849 Remote Similarity NPD8244 Phase 2
0.6842 Remote Similarity NPD2727 Phase 2
0.6837 Remote Similarity NPD1325 Approved
0.6837 Remote Similarity NPD1326 Approved
0.6837 Remote Similarity NPD7474 Suspended
0.6835 Remote Similarity NPD7538 Clinical (unspecified phase)
0.6835 Remote Similarity NPD3257 Approved
0.6829 Remote Similarity NPD2410 Phase 2

Structure

External Identifiers

PubChem CID   21770913
ChEMBL   CHEMBL524719
ZINC  

Physicochemical Properties

Molecular Weight:  331.19
ALogP:  1.483
MLogP:  3.77
XLogP:  5.702
# Rotatable Bonds:  4
Polar Surface Area:  14.16
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  25

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