Natural Product: NPC97343

Natural Product ID:  NPC97343
Common Name:   6-Bromo-1-(3,4-Dihydro-2H-Pyrrol-5-Yl)-9H-Pyrido[3,4-B]Indole
IUPAC Name:   6-bromo-1-(3,4-dihydro-2H-pyrrol-5-yl)-9H-pyrido[3,4-b]indole
Synonyms:  
Molecular Formula:   C15H12BrN3
Standard InCHIKey:  BJVWSKGRRKQZGZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H12BrN3/c16-9-3-4-12-11(8-9)10-5-7-18-15(14(10)19-12)13-2-1-6-17-13/h3-5,7-8,19H,1-2,6H2
Canonical SMILES:  Brc1ccc2c(c1)c1ccnc(c1[nH]2)C1=NCCC1
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
NPO8196 Leucanthemum aligulatum Species Asteraceae Eukaryota UNPD*
NPO7903 Ascochyta fabae Species Didymellaceae Eukaryota UNPD*
NPO3258 Parmelia glabra Species Parmeliaceae Eukaryota UNPD*
NPO2552 Shorea acuminata Species Dipterocarpaceae Eukaryota UNPD*
NPO4412 Vepris stolzii Species Rutaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT368 Cell Line SN12C Homo sapiens GI50 19054.61 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 24831.33 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 14757.07 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 5794.29 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 26915.35 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 9527.96 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 8472.27 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 1905.46 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 11324 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 16106.46 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 60953.69 nM PubChem BioAssay data set
NPT112 Cell Line MOLT-4 Homo sapiens GI50 8452.79 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 39994.47 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 11614.49 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 12531.41 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 13520.73 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 6109.42 nM PubChem BioAssay data set
NPT572 Cell Line DMS-273 Homo sapiens GI50 14421.15 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 21727.01 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 21330.45 nM PubChem BioAssay data set
NPT573 Cell Line M19-MEL Homo sapiens GI50 26915.35 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 9120.11 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 41495.4 nM PubChem BioAssay data set
NPT574 Cell Line XF498 Homo sapiens GI50 39536.66 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 14454.4 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 9268.3 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 17060.82 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 17988.71 nM PubChem BioAssay data set
NPT168 Cell Line P388 Mus musculus GI50 9506.05 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 13867.56 nM PubChem BioAssay data set
NPT575 Cell Line KM-20L2 Homo sapiens GI50 8165.82 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 12161.86 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 16255.49 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 31332.86 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 9862.79 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 16982.44 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 13001.7 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 16143.59 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 9246.98 nM PubChem BioAssay data set
NPT576 Cell Line DMS-114 Homo sapiens GI50 14487.72 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 26668.59 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 9954.05 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 9727.47 nM PubChem BioAssay data set
NPT552 Cell Line P388/ADR Mus musculus GI50 9571.94 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 19588.45 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 18749.95 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 10568.18 nM PubChem BioAssay data set
NPT578 Cell Line SNB-78 Homo sapiens GI50 100000 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 16904.41 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 10399.2 nM PubChem BioAssay data set
NPT579 Cell Line DLD-1 Homo sapiens GI50 15488.17 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 11220.18 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 10209.39 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 16368.17 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 16330.52 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 23280.91 nM PubChem BioAssay data set
NPT732 Cell Line HOP-18 Homo sapiens GI50 10209.39 nM PubChem BioAssay data set
NPT738 Cell Line SN12K1 Homo sapiens GI50 9977 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 NPC97343 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
0.9299 High Similarity NPC274229
0.9068 High Similarity NPC82331
0.8974 High Similarity NPC34844
0.8954 High Similarity NPC63545
0.8902 High Similarity NPC474958
0.8896 High Similarity NPC469811
0.8896 High Similarity NPC201380
0.8896 High Similarity NPC179787
0.8839 High Similarity NPC321911
0.8831 High Similarity NPC316069
0.8704 High Similarity NPC280864
0.869 High Similarity NPC307191
0.8671 High Similarity NPC325903
0.8553 High Similarity NPC141926
0.8528 High Similarity NPC149265
0.8509 High Similarity NPC236711
0.8448 Intermediate Similarity NPC231536
0.8415 Intermediate Similarity NPC317105
0.8405 Intermediate Similarity NPC470204
0.8405 Intermediate Similarity NPC122141
0.8354 Intermediate Similarity NPC470203
0.8333 Intermediate Similarity NPC477611
0.8284 Intermediate Similarity NPC280297
0.8269 Intermediate Similarity NPC115611
0.8266 Intermediate Similarity NPC108011
0.8253 Intermediate Similarity NPC17751
0.8247 Intermediate Similarity NPC96102
0.8239 Intermediate Similarity NPC288838
0.821 Intermediate Similarity NPC232798
0.8194 Intermediate Similarity NPC84911
0.8194 Intermediate Similarity NPC105127
0.8152 Intermediate Similarity NPC470505
0.8129 Intermediate Similarity NPC29886
0.8129 Intermediate Similarity NPC261195
0.8089 Intermediate Similarity NPC73767
0.8089 Intermediate Similarity NPC110126
0.8086 Intermediate Similarity NPC53947
0.8075 Intermediate Similarity NPC470111
0.8065 Intermediate Similarity NPC198988
0.8038 Intermediate Similarity NPC469767
0.8038 Intermediate Similarity NPC279081
0.8038 Intermediate Similarity NPC469768
0.8038 Intermediate Similarity NPC469761
0.8038 Intermediate Similarity NPC469783
0.8038 Intermediate Similarity NPC469780
0.8038 Intermediate Similarity NPC469784
0.8038 Intermediate Similarity NPC469779
0.8023 Intermediate Similarity NPC280852
0.8013 Intermediate Similarity NPC325252
0.7987 Intermediate Similarity NPC469766
0.7987 Intermediate Similarity NPC82295
0.7978 Intermediate Similarity NPC237414
0.7976 Intermediate Similarity NPC247987
0.7946 Intermediate Similarity NPC473761
0.7937 Intermediate Similarity NPC190296
0.7927 Intermediate Similarity NPC470233
0.7925 Intermediate Similarity NPC230002
0.7925 Intermediate Similarity NPC284635
0.7917 Intermediate Similarity NPC225018
0.7914 Intermediate Similarity NPC2272
0.7901 Intermediate Similarity NPC143872
0.7862 Intermediate Similarity NPC88097
0.7857 Intermediate Similarity NPC215584
0.7857 Intermediate Similarity NPC44773
0.7844 Intermediate Similarity NPC216643
0.784 Intermediate Similarity NPC314372
0.784 Intermediate Similarity NPC159856
0.7824 Intermediate Similarity NPC195507
0.7798 Intermediate Similarity NPC135141
0.7798 Intermediate Similarity NPC92796
0.7778 Intermediate Similarity NPC109447
0.7778 Intermediate Similarity NPC478183
0.7765 Intermediate Similarity NPC478184
0.775 Intermediate Similarity NPC316811
0.7744 Intermediate Similarity NPC471957
0.774 Intermediate Similarity NPC191415
0.7706 Intermediate Similarity NPC253687
0.7697 Intermediate Similarity NPC48938
0.7697 Intermediate Similarity NPC102755
0.7692 Intermediate Similarity NPC22079
0.7692 Intermediate Similarity NPC293487
0.7692 Intermediate Similarity NPC56765
0.7692 Intermediate Similarity NPC477591
0.7673 Intermediate Similarity NPC218268
0.7662 Intermediate Similarity NPC250361
0.7657 Intermediate Similarity NPC471579
0.7654 Intermediate Similarity NPC284678
0.7651 Intermediate Similarity NPC105818
0.7651 Intermediate Similarity NPC24678
0.7651 Intermediate Similarity NPC40070
0.7627 Intermediate Similarity NPC233050
0.7627 Intermediate Similarity NPC276540
0.7622 Intermediate Similarity NPC204141
0.7622 Intermediate Similarity NPC470440
0.7619 Intermediate Similarity NPC476219
0.7619 Intermediate Similarity NPC476297
0.7605 Intermediate Similarity NPC216713
0.7605 Intermediate Similarity NPC470823
0.7594 Intermediate Similarity NPC153123
0.7594 Intermediate Similarity NPC474318
0.7594 Intermediate Similarity NPC220797
0.7594 Intermediate Similarity NPC268744
0.7594 Intermediate Similarity NPC475914
0.7594 Intermediate Similarity NPC201266
0.7593 Intermediate Similarity NPC59084
0.7593 Intermediate Similarity NPC2949
0.7582 Intermediate Similarity NPC46358
0.7569 Intermediate Similarity NPC62749
0.7564 Intermediate Similarity NPC473762
0.756 Intermediate Similarity NPC73952
0.756 Intermediate Similarity NPC469765
0.756 Intermediate Similarity NPC200214
0.756 Intermediate Similarity NPC469760
0.756 Intermediate Similarity NPC469763
0.756 Intermediate Similarity NPC25008
0.756 Intermediate Similarity NPC259644
0.756 Intermediate Similarity NPC469786
0.7558 Intermediate Similarity NPC90723
0.7558 Intermediate Similarity NPC478182
0.7553 Intermediate Similarity NPC205254
0.7553 Intermediate Similarity NPC269203
0.7553 Intermediate Similarity NPC166209
0.7553 Intermediate Similarity NPC77241
0.7553 Intermediate Similarity NPC303820
0.7553 Intermediate Similarity NPC106771
0.7553 Intermediate Similarity NPC13456
0.7553 Intermediate Similarity NPC23420
0.7546 Intermediate Similarity NPC473868
0.7546 Intermediate Similarity NPC63157
0.7542 Intermediate Similarity NPC243381
0.7542 Intermediate Similarity NPC275292
0.7529 Intermediate Similarity NPC286427
0.7527 Intermediate Similarity NPC179701
0.7516 Intermediate Similarity NPC314102
0.7516 Intermediate Similarity NPC251722
0.7516 Intermediate Similarity NPC473587
0.7515 Intermediate Similarity NPC70922
0.7515 Intermediate Similarity NPC212376
0.7515 Intermediate Similarity NPC80597
0.7515 Intermediate Similarity NPC211572
0.7515 Intermediate Similarity NPC75540
0.7514 Intermediate Similarity NPC474180
0.7514 Intermediate Similarity NPC188821
0.7513 Intermediate Similarity NPC94211
0.7513 Intermediate Similarity NPC52909
0.7513 Intermediate Similarity NPC475935
0.75 Intermediate Similarity NPC470501
0.75 Intermediate Similarity NPC478185
0.7487 Intermediate Similarity NPC262898
0.7485 Intermediate Similarity NPC41257
0.7485 Intermediate Similarity NPC206819
0.7485 Intermediate Similarity NPC318065
0.7471 Intermediate Similarity NPC469785
0.7471 Intermediate Similarity NPC49217
0.7471 Intermediate Similarity NPC56233
0.7468 Intermediate Similarity NPC475428
0.7463 Intermediate Similarity NPC470503
0.7442 Intermediate Similarity NPC229173
0.7442 Intermediate Similarity NPC279918
0.7427 Intermediate Similarity NPC469762
0.7421 Intermediate Similarity NPC179365
0.7421 Intermediate Similarity NPC475450
0.7419 Intermediate Similarity NPC326422
0.7414 Intermediate Similarity NPC2165
0.7407 Intermediate Similarity NPC150259
0.7407 Intermediate Similarity NPC125746
0.7403 Intermediate Similarity NPC41174
0.7401 Intermediate Similarity NPC64055
0.7399 Intermediate Similarity NPC282231
0.7386 Intermediate Similarity NPC32534
0.7386 Intermediate Similarity NPC91895
0.7384 Intermediate Similarity NPC475990
0.7384 Intermediate Similarity NPC221786
0.7384 Intermediate Similarity NPC474880
0.7375 Intermediate Similarity NPC473930
0.7366 Intermediate Similarity NPC324149
0.7366 Intermediate Similarity NPC473342
0.7366 Intermediate Similarity NPC304187
0.7366 Intermediate Similarity NPC477167
0.7366 Intermediate Similarity NPC477166
0.7363 Intermediate Similarity NPC470502
0.7363 Intermediate Similarity NPC110158
0.7362 Intermediate Similarity NPC169433
0.7358 Intermediate Similarity NPC282398
0.7354 Intermediate Similarity NPC474389
0.7341 Intermediate Similarity NPC131718
0.733 Intermediate Similarity NPC63751
0.7321 Intermediate Similarity NPC21605
0.731 Intermediate Similarity NPC473218
0.731 Intermediate Similarity NPC470702
0.7308 Intermediate Similarity NPC27740
0.7283 Intermediate Similarity NPC230869
0.7278 Intermediate Similarity NPC59269
0.7273 Intermediate Similarity NPC470703
0.7273 Intermediate Similarity NPC49954
0.7273 Intermediate Similarity NPC54988
0.7273 Intermediate Similarity NPC474561
0.7263 Intermediate Similarity NPC317054
0.7257 Intermediate Similarity NPC311276
0.7255 Intermediate Similarity NPC91958

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC97343 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
0.8333 Intermediate Similarity NPD1722 Approved
0.8247 Intermediate Similarity NPD198 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD2837 Discontinued
0.8089 Intermediate Similarity NPD786 Approved
0.8025 Intermediate Similarity NPD1183 Approved
0.7914 Intermediate Similarity NPD4374 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD1853 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD3100 Discontinued
0.7758 Intermediate Similarity NPD2172 Phase 1
0.775 Intermediate Similarity NPD2070 Approved
0.775 Intermediate Similarity NPD2069 Approved
0.775 Intermediate Similarity NPD2068 Approved
0.775 Intermediate Similarity NPD2071 Approved
0.7692 Intermediate Similarity NPD715 Phase 3
0.7661 Intermediate Similarity NPD3323 Discontinued
0.764 Intermediate Similarity NPD1895 Discontinued
0.7607 Intermediate Similarity NPD4637 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD2007 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD6277 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD4547 Phase 3
0.7515 Intermediate Similarity NPD976 Approved
0.7515 Intermediate Similarity NPD977 Approved
0.7515 Intermediate Similarity NPD975 Approved
0.75 Intermediate Similarity NPD991 Phase 2
0.75 Intermediate Similarity NPD2006 Phase 2
0.75 Intermediate Similarity NPD992 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD3943 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD2430 Phase 2
0.7484 Intermediate Similarity NPD1995 Approved
0.7484 Intermediate Similarity NPD1994 Approved
0.7484 Intermediate Similarity NPD1993 Approved
0.7455 Intermediate Similarity NPD1918 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD1567 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD2641 Approved
0.7429 Intermediate Similarity NPD2640 Approved
0.7427 Intermediate Similarity NPD1192 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD4181 Approved
0.7365 Intermediate Similarity NPD1683 Approved
0.736 Intermediate Similarity NPD5065 Approved
0.7358 Intermediate Similarity NPD3475 Approved
0.7358 Intermediate Similarity NPD3476 Approved
0.7349 Intermediate Similarity NPD5254 Discontinued
0.7348 Intermediate Similarity NPD4649 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD3610 Approved
0.7345 Intermediate Similarity NPD3609 Approved
0.7341 Intermediate Similarity NPD1403 Approved
0.7341 Intermediate Similarity NPD1404 Approved
0.733 Intermediate Similarity NPD2390 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD3385 Approved
0.7312 Intermediate Similarity NPD803 Phase 1
0.7301 Intermediate Similarity NPD1262 Discovery
0.7288 Intermediate Similarity NPD5436 Phase 1
0.7278 Intermediate Similarity NPD2119 Approved
0.7278 Intermediate Similarity NPD2118 Approved
0.7273 Intermediate Similarity NPD2639 Approved
0.7273 Intermediate Similarity NPD2642 Approved
0.7263 Intermediate Similarity NPD4128 Approved
0.7238 Intermediate Similarity NPD3341 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD4779 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD2333 Discontinued
0.7232 Intermediate Similarity NPD2185 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD1661 Suspended
0.7198 Intermediate Similarity NPD6595 Phase 3
0.7182 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD2144 Approved
0.7175 Intermediate Similarity NPD439 Approved
0.7175 Intermediate Similarity NPD438 Approved
0.7168 Intermediate Similarity NPD2580 Discontinued
0.7151 Intermediate Similarity NPD3486 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2930 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD4462 Approved
0.7135 Intermediate Similarity NPD4463 Approved
0.7117 Intermediate Similarity NPD4029 Approved
0.7117 Intermediate Similarity NPD4028 Approved
0.7117 Intermediate Similarity NPD4030 Approved
0.7107 Intermediate Similarity NPD9583 Approved
0.7102 Intermediate Similarity NPD2385 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD5418 Discontinued
0.7081 Intermediate Similarity NPD3654 Approved
0.7079 Intermediate Similarity NPD1248 Discontinued
0.7069 Intermediate Similarity NPD473 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD6278 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD1707 Approved
0.7065 Intermediate Similarity NPD1708 Approved
0.7065 Intermediate Similarity NPD3038 Discontinued
0.7059 Intermediate Similarity NPD2310 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD4075 Phase 2
0.703 Intermediate Similarity NPD1254 Approved
0.703 Intermediate Similarity NPD1255 Approved
0.703 Intermediate Similarity NPD1256 Approved
0.703 Intermediate Similarity NPD1253 Approved
0.7029 Intermediate Similarity NPD2865 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD1332 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD5106 Approved
0.7027 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD5105 Approved
0.7022 Intermediate Similarity NPD5744 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD1313 Approved
0.7022 Intermediate Similarity NPD2720 Phase 1
0.7022 Intermediate Similarity NPD2719 Clinical (unspecified phase)
0.7015 Intermediate Similarity NPD4341 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD3942 Approved
0.7012 Intermediate Similarity NPD3944 Approved
0.7011 Intermediate Similarity NPD2165 Phase 1
0.7006 Intermediate Similarity NPD270 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD768 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD9598 Discontinued
0.7006 Intermediate Similarity NPD271 Approved
0.7006 Intermediate Similarity NPD268 Approved
0.7005 Intermediate Similarity NPD2793 Discontinued
0.7005 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.6995 Remote Similarity NPD3506 Approved
0.6995 Remote Similarity NPD3505 Approved
0.6988 Remote Similarity NPD6554 Approved
0.6988 Remote Similarity NPD45 Approved
0.6981 Remote Similarity NPD9357 Approved
0.6978 Remote Similarity NPD482 Approved
0.6975 Remote Similarity NPD947 Approved
0.6971 Remote Similarity NPD3113 Approved
0.6971 Remote Similarity NPD3115 Approved
0.6971 Remote Similarity NPD3114 Approved
0.6971 Remote Similarity NPD3112 Approved
0.6968 Remote Similarity NPD5590 Clinical (unspecified phase)
0.6959 Remote Similarity NPD1528 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4076 Approved
0.6957 Remote Similarity NPD1598 Discontinued
0.6957 Remote Similarity NPD4079 Approved
0.6952 Remote Similarity NPD1227 Phase 2
0.6943 Remote Similarity NPD2880 Discontinued
0.694 Remote Similarity NPD749 Clinical (unspecified phase)
0.694 Remote Similarity NPD2367 Phase 2
0.6936 Remote Similarity NPD3833 Phase 3
0.6936 Remote Similarity NPD3835 Phase 3
0.6927 Remote Similarity NPD7619 Phase 3
0.6927 Remote Similarity NPD7618 Phase 3
0.6919 Remote Similarity NPD1873 Clinical (unspecified phase)
0.6919 Remote Similarity NPD5962 Phase 2
0.6915 Remote Similarity NPD6217 Discontinued
0.6915 Remote Similarity NPD3378 Clinical (unspecified phase)
0.691 Remote Similarity NPD5315 Discontinued
0.6902 Remote Similarity NPD7111 Discontinued
0.6898 Remote Similarity NPD5892 Approved
0.6895 Remote Similarity NPD5145 Clinical (unspecified phase)
0.6891 Remote Similarity NPD2960 Clinical (unspecified phase)
0.6889 Remote Similarity NPD2478 Clinical (unspecified phase)
0.6878 Remote Similarity NPD3961 Discontinued
0.6875 Remote Similarity NPD2748 Clinical (unspecified phase)
0.6859 Remote Similarity NPD9392 Approved
0.6859 Remote Similarity NPD9396 Approved
0.6853 Remote Similarity NPD3015 Discontinued
0.6851 Remote Similarity NPD7287 Clinical (unspecified phase)
0.6848 Remote Similarity NPD3348 Phase 2
0.6842 Remote Similarity NPD8110 Clinical (unspecified phase)
0.6839 Remote Similarity NPD269 Clinical (unspecified phase)
0.6839 Remote Similarity NPD971 Clinical (unspecified phase)
0.6831 Remote Similarity NPD4112 Clinical (unspecified phase)
0.6826 Remote Similarity NPD490 Clinical (unspecified phase)
0.6824 Remote Similarity NPD1592 Phase 3
0.6816 Remote Similarity NPD1015 Phase 2
0.6816 Remote Similarity NPD1016 Phase 2
0.6813 Remote Similarity NPD2875 Clinical (unspecified phase)
0.6809 Remote Similarity NPD4957 Phase 2
0.6809 Remote Similarity NPD3607 Clinical (unspecified phase)
0.6809 Remote Similarity NPD6178 Phase 3
0.6805 Remote Similarity NPD2073 Approved
0.6805 Remote Similarity NPD2075 Approved
0.6805 Remote Similarity NPD2074 Approved
0.6805 Remote Similarity NPD2072 Approved
0.6789 Remote Similarity NPD8431 Approved
0.6789 Remote Similarity NPD7394 Phase 2
0.6788 Remote Similarity NPD3485 Clinical (unspecified phase)
0.6784 Remote Similarity NPD5426 Phase 3
0.678 Remote Similarity NPD2927 Phase 3
0.678 Remote Similarity NPD2150 Discontinued
0.6776 Remote Similarity NPD6828 Phase 2
0.6776 Remote Similarity NPD6827 Clinical (unspecified phase)
0.6771 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6771 Remote Similarity NPD3419 Clinical (unspecified phase)
0.6763 Remote Similarity NPD7469 Discontinued
0.6761 Remote Similarity NPD3339 Approved
0.676 Remote Similarity NPD6454 Clinical (unspecified phase)
0.6755 Remote Similarity NPD2092 Phase 2
0.6755 Remote Similarity NPD2095 Phase 2
0.6755 Remote Similarity NPD2094 Phase 2
0.675 Remote Similarity NPD2008 Discontinued
0.675 Remote Similarity NPD1561 Phase 2
0.674 Remote Similarity NPD509 Phase 3
0.674 Remote Similarity NPD1333 Phase 3
0.6738 Remote Similarity NPD702 Clinical (unspecified phase)
0.6737 Remote Similarity NPD706 Phase 1
0.6737 Remote Similarity NPD4902 Discontinued
0.6724 Remote Similarity NPD4702 Approved
0.6724 Remote Similarity NPD4703 Approved
0.672 Remote Similarity NPD2091 Phase 2
0.672 Remote Similarity NPD2096 Phase 2
0.6718 Remote Similarity NPD2316 Clinical (unspecified phase)
0.6717 Remote Similarity NPD4318 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   145929
ChEMBL   CHEMBL1994777
ZINC  

Physicochemical Properties

Molecular Weight:  313.02
ALogP:  -0.103
MLogP:  2.67
XLogP:  2.77
# Rotatable Bonds:  2
Polar Surface Area:  41.04
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  19

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Structure MOL file  
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Biological Activities  
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