Natural Product: NPC314281

Natural Product ID:  NPC314281
Common Name:   Congocidine
IUPAC Name:   N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide;dihydrochloride
Synonyms:   congocidine
Molecular Formula:   C18H26N10O3.2ClH
Standard InCHIKey:  SDRHUASONSRLFR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C18H26N10O3.2ClH/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22;;/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24);2*1H
Canonical SMILES:  NC(=N)CCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)N=C(CNC(=N)N)O.Cl.Cl
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
NPO95 Streptomyces ambofaciens Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5528 Cell Line MOLT-4F Homo sapiens ID50 > 100 ug/ml 2828620
NPT137 Cell Line L1210 Mus musculus ID50 = 245 ug/ml 2828620
NPT1759 Cell Line FM3A Mus musculus ID50 = 321 ug/ml 2828620
NPT80 Cell Line Raji Homo sapiens ID50 = 139 ug/ml 2828620
NPT5892 Cell Line NAMALVA Homo sapiens ID50 = 103 ug/ml 2828620
NPT5893 Cell Line Hepatoma cell line ID50 = 44.7 ug/ml 2828620
NPT190 Organism Human herpesvirus 1 Human herpesvirus 1 MIC > 10 ug/ml 2828620
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 MIC > 10 ug/ml 2828620
NPT334 Organism Vaccinia virus Vaccinia virus MIC = 2 ug/ml 2828620
NPT195 Organism Vesicular stomatitis virus Vesicular stomatitis virus MIC > 10 ug/ml 2828620
NPT1757 Organism unidentified influenza virus unidentified influenza virus MIC > 100 ug/ml 2828620
NPT2602 Organism Mammalian orthoreovirus 1 Mammalian orthoreovirus 1 MIC > 200 ug/ml 2828620
NPT338 Organism Sindbis virus Sindbis virus MIC > 200 ug/ml 2828620
NPT335 Organism Human coxsackievirus B4 Human coxsackievirus B4 MIC > 200 ug/ml 2828620
NPT856 Organism Semliki forest virus Semliki forest virus MIC > 200 ug/ml 2828620
NPT4754 Cell Line BSC-1 Chlorocebus aethiops Inhibition = 98.1 % 6252323
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 Inhibition = 64 % 6252323
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 Inhibition = 67 % 6252323
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 Inhibition = 61 % 6252323
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 Inhibition = 71 % 6252323
NPT1141 Organism Human herpesvirus 2 Human herpesvirus 2 Inhibition = 88 % 6252323
NPT317 Uncleic Acid Nucleic Acid Inhibition = 30 % 6252323
NPT317 Uncleic Acid Nucleic Acid Inhibition = 61 % 6252323
NPT317 Uncleic Acid Nucleic Acid Inhibition = 78 % 6252323
NPT317 Uncleic Acid Nucleic Acid Inhibition = 90 % 6252323
NPT317 Uncleic Acid Nucleic Acid Inhibition = 93 % 6252323

  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 NPC314281 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 NPC40530
0.924 High Similarity NPC210123
0.9167 High Similarity NPC270834
0.8056 Intermediate Similarity NPC476527
0.7943 Intermediate Similarity NPC54214
0.7811 Intermediate Similarity NPC472260
0.7766 Intermediate Similarity NPC174281
0.7766 Intermediate Similarity NPC475286
0.7713 Intermediate Similarity NPC329765
0.7713 Intermediate Similarity NPC48117
0.7713 Intermediate Similarity NPC476526
0.7684 Intermediate Similarity NPC136957
0.7684 Intermediate Similarity NPC19696
0.7657 Intermediate Similarity NPC476418
0.7644 Intermediate Similarity NPC473706
0.7568 Intermediate Similarity NPC63571
0.7568 Intermediate Similarity NPC111566
0.7527 Intermediate Similarity NPC310633
0.7515 Intermediate Similarity NPC472288
0.7462 Intermediate Similarity NPC476524
0.7459 Intermediate Similarity NPC97106
0.7444 Intermediate Similarity NPC227489
0.7444 Intermediate Similarity NPC476421
0.7444 Intermediate Similarity NPC226835
0.7444 Intermediate Similarity NPC28096
0.7423 Intermediate Similarity NPC9635
0.7418 Intermediate Similarity NPC136441
0.7389 Intermediate Similarity NPC469717
0.7374 Intermediate Similarity NPC476525
0.7366 Intermediate Similarity NPC469814
0.736 Intermediate Similarity NPC206148
0.733 Intermediate Similarity NPC19342
0.733 Intermediate Similarity NPC476414
0.7297 Intermediate Similarity NPC16659
0.7283 Intermediate Similarity NPC240088
0.7283 Intermediate Similarity NPC473380
0.7277 Intermediate Similarity NPC476413
0.7243 Intermediate Similarity NPC265710
0.7232 Intermediate Similarity NPC27296
0.7186 Intermediate Similarity NPC291517
0.7136 Intermediate Similarity NPC473376
0.7127 Intermediate Similarity NPC233380
0.7121 Intermediate Similarity NPC469716
0.7119 Intermediate Similarity NPC474236
0.7105 Intermediate Similarity NPC112489
0.7091 Intermediate Similarity NPC71236
0.7085 Intermediate Similarity NPC317701
0.7083 Intermediate Similarity NPC23215
0.7074 Intermediate Similarity NPC184932
0.7074 Intermediate Similarity NPC472861
0.7016 Intermediate Similarity NPC46022
0.7005 Intermediate Similarity NPC267811
0.7 Intermediate Similarity NPC477003
0.6972 Remote Similarity NPC178664
0.6959 Remote Similarity NPC476460
0.6957 Remote Similarity NPC147983
0.6957 Remote Similarity NPC177996
0.694 Remote Similarity NPC474383
0.6939 Remote Similarity NPC46811
0.6935 Remote Similarity NPC80528
0.6927 Remote Similarity NPC33229
0.6927 Remote Similarity NPC320968
0.6919 Remote Similarity NPC171317
0.6893 Remote Similarity NPC6865
0.6893 Remote Similarity NPC153980
0.6893 Remote Similarity NPC471193
0.6893 Remote Similarity NPC471194
0.6891 Remote Similarity NPC17059
0.6885 Remote Similarity NPC306160
0.6884 Remote Similarity NPC69843
0.6878 Remote Similarity NPC11126
0.6863 Remote Similarity NPC116555
0.686 Remote Similarity NPC54744
0.6856 Remote Similarity NPC213629
0.6845 Remote Similarity NPC72956
0.6839 Remote Similarity NPC94752
0.6823 Remote Similarity NPC228835
0.6802 Remote Similarity NPC188821
0.6802 Remote Similarity NPC474180
0.6788 Remote Similarity NPC308931
0.6788 Remote Similarity NPC99939
0.6763 Remote Similarity NPC54981
0.675 Remote Similarity NPC474389
0.6743 Remote Similarity NPC197068
0.6742 Remote Similarity NPC100726
0.6729 Remote Similarity NPC476817
0.6723 Remote Similarity NPC260041
0.672 Remote Similarity NPC37268
0.672 Remote Similarity NPC469529
0.6717 Remote Similarity NPC326422
0.6714 Remote Similarity NPC471192
0.6703 Remote Similarity NPC73687
0.6667 Remote Similarity NPC473878
0.6652 Remote Similarity NPC66642
0.6634 Remote Similarity NPC293917
0.6634 Remote Similarity NPC474767
0.6621 Remote Similarity NPC470323
0.6619 Remote Similarity NPC282247
0.6618 Remote Similarity NPC71238
0.6615 Remote Similarity NPC133003
0.6605 Remote Similarity NPC327095
0.6605 Remote Similarity NPC312942
0.6591 Remote Similarity NPC935
0.6591 Remote Similarity NPC267078
0.6585 Remote Similarity NPC138562
0.6584 Remote Similarity NPC473640
0.6579 Remote Similarity NPC271927
0.6576 Remote Similarity NPC213914
0.6575 Remote Similarity NPC471655
0.6574 Remote Similarity NPC40455
0.6573 Remote Similarity NPC475736
0.657 Remote Similarity NPC54420
0.6569 Remote Similarity NPC475506
0.6566 Remote Similarity NPC324091
0.6562 Remote Similarity NPC284775
0.6561 Remote Similarity NPC474357
0.6559 Remote Similarity NPC253687
0.6557 Remote Similarity NPC209362
0.6557 Remote Similarity NPC470732
0.6557 Remote Similarity NPC470731
0.6552 Remote Similarity NPC477004
0.6552 Remote Similarity NPC100321
0.655 Remote Similarity NPC304203
0.6546 Remote Similarity NPC191415
0.6544 Remote Similarity NPC19170
0.6543 Remote Similarity NPC49217
0.6543 Remote Similarity NPC114637
0.6537 Remote Similarity NPC155143
0.6537 Remote Similarity NPC472062
0.6537 Remote Similarity NPC472069
0.6537 Remote Similarity NPC472063
0.6535 Remote Similarity NPC167710
0.6531 Remote Similarity NPC476423
0.6526 Remote Similarity NPC469976
0.6524 Remote Similarity NPC478182
0.6517 Remote Similarity NPC294693
0.6515 Remote Similarity NPC209917
0.6513 Remote Similarity NPC470205
0.6507 Remote Similarity NPC162860
0.6505 Remote Similarity NPC100104
0.6505 Remote Similarity NPC470680
0.6503 Remote Similarity NPC251391
0.6498 Remote Similarity NPC64216
0.6495 Remote Similarity NPC91179
0.6495 Remote Similarity NPC73994
0.6495 Remote Similarity NPC477042
0.6493 Remote Similarity NPC470702
0.6493 Remote Similarity NPC473218
0.6477 Remote Similarity NPC64436
0.6477 Remote Similarity NPC83774
0.6474 Remote Similarity NPC20021
0.6473 Remote Similarity NPC88115
0.6471 Remote Similarity NPC470203
0.6471 Remote Similarity NPC284338
0.6467 Remote Similarity NPC120070
0.6464 Remote Similarity NPC105811
0.6462 Remote Similarity NPC470703
0.6457 Remote Similarity NPC138596
0.6457 Remote Similarity NPC292434
0.6457 Remote Similarity NPC195704
0.6457 Remote Similarity NPC64661
0.6457 Remote Similarity NPC98156
0.6457 Remote Similarity NPC200397
0.6457 Remote Similarity NPC14448
0.6457 Remote Similarity NPC167200
0.6455 Remote Similarity NPC297862
0.6452 Remote Similarity NPC474492
0.6448 Remote Similarity NPC217021
0.6448 Remote Similarity NPC470679
0.6447 Remote Similarity NPC311282
0.6444 Remote Similarity NPC467188
0.6442 Remote Similarity NPC472064
0.6437 Remote Similarity NPC150592
0.6436 Remote Similarity NPC478184
0.6435 Remote Similarity NPC474195
0.6433 Remote Similarity NPC313823
0.6429 Remote Similarity NPC107077
0.6429 Remote Similarity NPC478158
0.6429 Remote Similarity NPC223791
0.6429 Remote Similarity NPC102755
0.6418 Remote Similarity NPC216550
0.6417 Remote Similarity NPC470204
0.641 Remote Similarity NPC61011
0.6406 Remote Similarity NPC161861
0.6402 Remote Similarity NPC2414
0.6396 Remote Similarity NPC21429
0.6393 Remote Similarity NPC474196
0.6392 Remote Similarity NPC157583
0.6377 Remote Similarity NPC57398
0.6377 Remote Similarity NPC106757
0.6373 Remote Similarity NPC78767
0.6373 Remote Similarity NPC473814
0.6373 Remote Similarity NPC469938
0.6373 Remote Similarity NPC106824
0.6372 Remote Similarity NPC472285
0.6372 Remote Similarity NPC238945
0.6368 Remote Similarity NPC56233
0.6368 Remote Similarity NPC474696
0.6368 Remote Similarity NPC89987
0.6364 Remote Similarity NPC293487

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314281 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
0.882 High Similarity NPD7459 Phase 2
0.8122 Intermediate Similarity NPD5685 Approved
0.8122 Intermediate Similarity NPD5686 Approved
0.7876 Intermediate Similarity NPD7704 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD5017 Discontinued
0.7337 Intermediate Similarity NPD3968 Approved
0.7273 Intermediate Similarity NPD3967 Approved
0.7255 Intermediate Similarity NPD5643 Phase 2
0.7239 Intermediate Similarity NPD1031 Discontinued
0.7236 Intermediate Similarity NPD3410 Approved
0.7236 Intermediate Similarity NPD3411 Phase 2
0.722 Intermediate Similarity NPD6470 Phase 3
0.72 Intermediate Similarity NPD2442 Approved
0.72 Intermediate Similarity NPD2443 Approved
0.7164 Intermediate Similarity NPD1600 Suspended
0.715 Intermediate Similarity NPD6210 Phase 3
0.715 Intermediate Similarity NPD1506 Discontinued
0.715 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD5820 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD2008 Discontinued
0.7079 Intermediate Similarity NPD2819 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD460 Discontinued
0.7019 Intermediate Similarity NPD5198 Approved
0.7019 Intermediate Similarity NPD5199 Approved
0.7016 Intermediate Similarity NPD3913 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD5973 Phase 2
0.701 Intermediate Similarity NPD5974 Approved
0.7006 Intermediate Similarity NPD9343 Clinical (unspecified phase)
0.6995 Remote Similarity NPD2408 Discontinued
0.698 Remote Similarity NPD6328 Clinical (unspecified phase)
0.6971 Remote Similarity NPD4541 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3353 Approved
0.6919 Remote Similarity NPD1982 Phase 1
0.6908 Remote Similarity NPD2547 Discontinued
0.6905 Remote Similarity NPD6579 Phase 2
0.6893 Remote Similarity NPD2411 Approved
0.6888 Remote Similarity NPD5274 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6288 Clinical (unspecified phase)
0.6872 Remote Similarity NPD1658 Discontinued
0.6869 Remote Similarity NPD5446 Phase 2
0.6869 Remote Similarity NPD1174 Phase 2
0.6869 Remote Similarity NPD1952 Discontinued
0.6848 Remote Similarity NPD1333 Phase 3
0.6847 Remote Similarity NPD4559 Clinical (unspecified phase)
0.6839 Remote Similarity NPD7026 Phase 2
0.6831 Remote Similarity NPD1015 Phase 2
0.6831 Remote Similarity NPD1016 Phase 2
0.6827 Remote Similarity NPD7971 Clinical (unspecified phase)
0.6827 Remote Similarity NPD7970 Approved
0.6823 Remote Similarity NPD1096 Discontinued
0.6816 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6816 Remote Similarity NPD3890 Phase 2
0.6816 Remote Similarity NPD3891 Phase 2
0.6804 Remote Similarity NPD4988 Discontinued
0.68 Remote Similarity NPD2405 Phase 3
0.68 Remote Similarity NPD5854 Approved
0.6784 Remote Similarity NPD2880 Discontinued
0.6782 Remote Similarity NPD6268 Phase 1
0.6782 Remote Similarity NPD6269 Clinical (unspecified phase)
0.678 Remote Similarity NPD6459 Phase 2
0.6774 Remote Similarity NPD5935 Discontinued
0.6757 Remote Similarity NPD1568 Clinical (unspecified phase)
0.6754 Remote Similarity NPD1618 Phase 2
0.6754 Remote Similarity NPD5508 Phase 1
0.6748 Remote Similarity NPD5510 Approved
0.6734 Remote Similarity NPD7023 Clinical (unspecified phase)
0.673 Remote Similarity NPD1623 Approved
0.6729 Remote Similarity NPD6752 Phase 1
0.6729 Remote Similarity NPD6753 Phase 1
0.6724 Remote Similarity NPD569 Clinical (unspecified phase)
0.6719 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6719 Remote Similarity NPD3178 Discontinued
0.6702 Remote Similarity NPD2590 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6180 Clinical (unspecified phase)
0.67 Remote Similarity NPD2879 Approved
0.67 Remote Similarity NPD2881 Approved
0.6699 Remote Similarity NPD2363 Discontinued
0.6684 Remote Similarity NPD207 Discontinued
0.6682 Remote Similarity NPD8256 Approved
0.6682 Remote Similarity NPD7888 Approved
0.6682 Remote Similarity NPD8258 Clinical (unspecified phase)
0.6682 Remote Similarity NPD7887 Approved
0.6682 Remote Similarity NPD8257 Approved
0.6667 Remote Similarity NPD645 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3431 Approved
0.6667 Remote Similarity NPD5887 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3430 Approved
0.6667 Remote Similarity NPD1037 Clinical (unspecified phase)
0.665 Remote Similarity NPD4459 Clinical (unspecified phase)
0.665 Remote Similarity NPD4458 Phase 2
0.6635 Remote Similarity NPD4851 Clinical (unspecified phase)
0.6635 Remote Similarity NPD2402 Approved
0.6635 Remote Similarity NPD7809 Clinical (unspecified phase)
0.6635 Remote Similarity NPD2401 Approved
0.6634 Remote Similarity NPD7207 Approved
0.6634 Remote Similarity NPD7209 Approved
0.6634 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6634 Remote Similarity NPD7208 Approved
0.6633 Remote Similarity NPD2009 Clinical (unspecified phase)
0.6632 Remote Similarity NPD4883 Approved
0.6618 Remote Similarity NPD4134 Clinical (unspecified phase)
0.6608 Remote Similarity NPD803 Phase 1
0.6606 Remote Similarity NPD6465 Phase 2
0.6603 Remote Similarity NPD4863 Approved
0.6602 Remote Similarity NPD5489 Phase 1
0.6602 Remote Similarity NPD5491 Phase 3
0.6602 Remote Similarity NPD6271 Approved
0.66 Remote Similarity NPD7619 Phase 3
0.66 Remote Similarity NPD7618 Phase 3
0.66 Remote Similarity NPD5855 Phase 3
0.66 Remote Similarity NPD5853 Phase 3
0.6599 Remote Similarity NPD1250 Clinical (unspecified phase)
0.6591 Remote Similarity NPD2222 Discontinued
0.659 Remote Similarity NPD272 Approved
0.6582 Remote Similarity NPD5757 Discontinued
0.6575 Remote Similarity NPD2400 Phase 2
0.6574 Remote Similarity NPD6829 Phase 2
0.657 Remote Similarity NPD3905 Phase 3
0.6569 Remote Similarity NPD6837 Clinical (unspecified phase)
0.6569 Remote Similarity NPD7817 Phase 1
0.6567 Remote Similarity NPD2290 Phase 3
0.6567 Remote Similarity NPD2289 Phase 3
0.6562 Remote Similarity NPD3041 Approved
0.6561 Remote Similarity NPD4024 Phase 3
0.6553 Remote Similarity NPD5520 Phase 2
0.6535 Remote Similarity NPD6664 Approved
0.6534 Remote Similarity NPD174 Discontinued
0.6528 Remote Similarity NPD5001 Clinical (unspecified phase)
0.6526 Remote Similarity NPD2813 Phase 3
0.6526 Remote Similarity NPD3347 Clinical (unspecified phase)
0.6526 Remote Similarity NPD2812 Clinical (unspecified phase)
0.6524 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6512 Remote Similarity NPD809 Discontinued
0.6509 Remote Similarity NPD4395 Phase 1
0.6508 Remote Similarity NPD1292 Clinical (unspecified phase)
0.6508 Remote Similarity NPD2390 Clinical (unspecified phase)
0.6506 Remote Similarity NPD9598 Discontinued
0.6498 Remote Similarity NPD6173 Approved
0.6497 Remote Similarity NPD706 Phase 1
0.6495 Remote Similarity NPD1291 Clinical (unspecified phase)
0.6493 Remote Similarity NPD7657 Approved
0.6493 Remote Similarity NPD7656 Approved
0.649 Remote Similarity NPD3840 Phase 2
0.649 Remote Similarity NPD3839 Phase 2
0.6486 Remote Similarity NPD8047 Clinical (unspecified phase)
0.6485 Remote Similarity NPD7027 Phase 3
0.6473 Remote Similarity NPD4299 Phase 1
0.6468 Remote Similarity NPD3485 Clinical (unspecified phase)
0.6468 Remote Similarity NPD3460 Discontinued
0.6467 Remote Similarity NPD4436 Clinical (unspecified phase)
0.6467 Remote Similarity NPD1003 Phase 2
0.6467 Remote Similarity NPD2061 Approved
0.6465 Remote Similarity NPD6418 Phase 1
0.6465 Remote Similarity NPD3961 Discontinued
0.6465 Remote Similarity NPD3486 Clinical (unspecified phase)
0.6459 Remote Similarity NPD5421 Clinical (unspecified phase)
0.6459 Remote Similarity NPD6520 Phase 3
0.6459 Remote Similarity NPD6521 Phase 3
0.6456 Remote Similarity NPD3497 Clinical (unspecified phase)
0.6455 Remote Similarity NPD2478 Clinical (unspecified phase)
0.6449 Remote Similarity NPD8000 Clinical (unspecified phase)
0.6448 Remote Similarity NPD2128 Phase 1
0.6445 Remote Similarity NPD4614 Clinical (unspecified phase)
0.6443 Remote Similarity NPD3077 Approved
0.6443 Remote Similarity NPD3078 Approved
0.6443 Remote Similarity NPD3076 Approved
0.6443 Remote Similarity NPD3079 Approved
0.6429 Remote Similarity NPD6986 Phase 1
0.6422 Remote Similarity NPD7723 Discovery
0.6422 Remote Similarity NPD7204 Clinical (unspecified phase)
0.6414 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6414 Remote Similarity NPD2963 Phase 1
0.6414 Remote Similarity NPD2591 Phase 2
0.6414 Remote Similarity NPD3378 Clinical (unspecified phase)
0.641 Remote Similarity NPD3927 Phase 2
0.6409 Remote Similarity NPD6164 Phase 2
0.6409 Remote Similarity NPD6165 Phase 2
0.6404 Remote Similarity NPD9599 Approved
0.6404 Remote Similarity NPD3362 Clinical (unspecified phase)
0.6398 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6398 Remote Similarity NPD4051 Discontinued
0.6396 Remote Similarity NPD2457 Phase 2
0.6396 Remote Similarity NPD7564 Discontinued
0.6396 Remote Similarity NPD2456 Phase 2
0.6394 Remote Similarity NPD8169 Discontinued
0.6394 Remote Similarity NPD4446 Approved
0.6394 Remote Similarity NPD3247 Clinical (unspecified phase)
0.6391 Remote Similarity NPD8250 Phase 2
0.6388 Remote Similarity NPD6715 Discontinued
0.6385 Remote Similarity NPD2823 Clinical (unspecified phase)
0.6383 Remote Similarity NPD6771 Discontinued
0.6378 Remote Similarity NPD2604 Approved
0.6373 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6372 Remote Similarity NPD1591 Approved
0.6372 Remote Similarity NPD2787 Clinical (unspecified phase)
0.6368 Remote Similarity NPD5611 Phase 2
0.6368 Remote Similarity NPD3915 Approved
0.6368 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6364 Remote Similarity NPD2814 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4336 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   12303839
ChEMBL   CHEMBL115422
ZINC  

Physicochemical Properties

Molecular Weight:  430.22
ALogP:  -2.2217
MLogP:  2.01
XLogP:  -0.865
# Rotatable Bonds:  17
Polar Surface Area:  212.42
# H-Bond Aceptor:  13
# H-Bond Donor:  8
# Rings:  2
# Heavy Atoms:  31

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Biological Activities  
Similar NPs/Drugs