Natural Product: NPC123906

Natural Product ID:  NPC123906
Common Name:   Mansouramycin A
IUPAC Name:   3,4-dimethyl-7-(methylamino)isoquinoline-5,8-dione
Synonyms:  
Molecular Formula:   C12H12N2O2
Standard InCHIKey:  SDLNCVBYFYLESJ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H12N2O2/c1-6-7(2)14-5-8-11(6)10(15)4-9(13-3)12(8)16/h4-5,13H,1-3H3
Canonical SMILES:  CNC1=CC(=O)c2c(C1=O)cnc(c2C)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
NPO33479 streptomycete NA NA NA PMID[19921834]
NPO31585 Streptomyces mei37 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 10 mm 19921834
NPT19 Organism Escherichia coli Escherichia coli IZ = 10 mm 19921834
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 12 mm 19921834
NPT4338 Organism Streptomyces viridochromogenes Streptomyces viridochromogenes IZ = 0 mm 19921834
NPT20 Organism Candida albicans Candida albicans IZ = 0 mm 19921834
NPT2526 Organism Rhizomucor miehei Rhizomucor miehei IZ = 0 mm 19921834
NPT4339 Organism Chlorella vulgaris Chlorella vulgaris IZ = 22 mm 19921834
NPT4340 Organism Chlorella sorokiniana Chlorella sorokiniana IZ = 17 mm 19921834
NPT4341 Organism Desmodesmus subspicatus Desmodesmus subspicatus IZ = 25 mm 19921834
NPT2 Others Unspecified IC50 = 28190 nM 19921834
NPT2 Others Unspecified IC50 = 12580 nM 19921834
NPT2 Others Unspecified IC50 = 14390 nM 19921834
NPT395 Cell Line SF-268 Homo sapiens IC50 = 14410 nM 19921834
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 9110 nM 19921834
NPT139 Cell Line HT-29 Homo sapiens IC50 = 4630 nM 19921834
NPT2 Others Unspecified IC50 = 31900 nM 19921834
NPT2 Others Unspecified IC50 = 710 nM 19921834
NPT2 Others Unspecified IC50 = 27140 nM 19921834
NPT2 Others Unspecified IC50 = 19050 nM 19921834
NPT2 Others Unspecified IC50 = 18990 nM 19921834
NPT2 Others Unspecified IC50 = 12420 nM 19921834
NPT2 Others Unspecified IC50 = 4100 nM 19921834
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 7110 nM 19921834
NPT2 Others Unspecified IC50 = 47760 nM 19921834
NPT83 Cell Line MCF7 Homo sapiens IC50 = 2340 nM 19921834
NPT2 Others Unspecified IC50 = 2440 nM 19921834
NPT2 Others Unspecified IC50 = 15570 nM 19921834
NPT2 Others Unspecified IC50 = 49930 nM 19921834
NPT2 Others Unspecified IC50 = 2600 nM 19921834
NPT2 Others Unspecified IC50 = 5450 nM 19921834
NPT2 Others Unspecified IC50 = 13150 nM 19921834
NPT2 Others Unspecified IC50 = 34890 nM 19921834
NPT377 Cell Line OVCAR-3 Homo sapiens IC50 = 32310 nM 19921834
NPT2 Others Unspecified IC50 = 26030 nM 19921834
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 26750 nM 19921834
NPT1629 Cell Line CWR22R Homo sapiens IC50 = 21740 nM 19921834
NPT90 Cell Line DU-145 Homo sapiens IC50 = 1250 nM 19921834
NPT858 Cell Line LNCaP Homo sapiens IC50 = 21670 nM 19921834
NPT2 Others Unspecified IC50 = 32560 nM 19921834
NPT2 Others Unspecified IC50 = 46300 nM 19921834
NPT2 Others Unspecified IC50 = 16360 nM 19921834
NPT2 Others Unspecified IC50 = 18650 nM 19921834
NPT2 Others Unspecified IC50 = 59140 nM 19921834
NPT2 Others Unspecified IC50 = 18100 nM 19921834
NPT2 Others Unspecified IC50 = 18020 nM 19921834

  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 NPC123906 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
0.9789 High Similarity NPC251391
0.9375 High Similarity NPC313889
0.9371 High Similarity NPC105811
0.931 High Similarity NPC70406
0.9231 High Similarity NPC467188
0.8926 High Similarity NPC209362
0.8926 High Similarity NPC229055
0.8867 High Similarity NPC74357
0.8808 High Similarity NPC213914
0.8693 High Similarity NPC100104
0.8693 High Similarity NPC470680
0.8627 High Similarity NPC474492
0.86 High Similarity NPC473878
0.8543 High Similarity NPC470679
0.8543 High Similarity NPC217021
0.8477 Intermediate Similarity NPC471655
0.8467 Intermediate Similarity NPC100726
0.8302 Intermediate Similarity NPC70949
0.8113 Intermediate Similarity NPC274981
0.8063 Intermediate Similarity NPC233380
0.8059 Intermediate Similarity NPC469489
0.8 Intermediate Similarity NPC265100
0.7935 Intermediate Similarity NPC102664
0.7925 Intermediate Similarity NPC80681
0.787 Intermediate Similarity NPC477003
0.7797 Intermediate Similarity NPC103361
0.7784 Intermediate Similarity NPC83774
0.7784 Intermediate Similarity NPC284775
0.7751 Intermediate Similarity NPC191415
0.7701 Intermediate Similarity NPC476460
0.7692 Intermediate Similarity NPC61011
0.7692 Intermediate Similarity NPC73994
0.767 Intermediate Similarity NPC135950
0.7657 Intermediate Similarity NPC216550
0.7651 Intermediate Similarity NPC262338
0.7622 Intermediate Similarity NPC115232
0.7588 Intermediate Similarity NPC477042
0.7574 Intermediate Similarity NPC157583
0.7568 Intermediate Similarity NPC471589
0.756 Intermediate Similarity NPC469529
0.7558 Intermediate Similarity NPC46895
0.7545 Intermediate Similarity NPC249614
0.7515 Intermediate Similarity NPC42372
0.7514 Intermediate Similarity NPC326422
0.7514 Intermediate Similarity NPC304203
0.75 Intermediate Similarity NPC284338
0.75 Intermediate Similarity NPC291517
0.75 Intermediate Similarity NPC242116
0.7486 Intermediate Similarity NPC167710
0.7485 Intermediate Similarity NPC182940
0.7456 Intermediate Similarity NPC293216
0.745 Intermediate Similarity NPC313823
0.7432 Intermediate Similarity NPC317701
0.7401 Intermediate Similarity NPC114974
0.7399 Intermediate Similarity NPC102755
0.7391 Intermediate Similarity NPC472260
0.7389 Intermediate Similarity NPC106824
0.7386 Intermediate Similarity NPC103119
0.7384 Intermediate Similarity NPC234403
0.7384 Intermediate Similarity NPC79777
0.7377 Intermediate Similarity NPC472063
0.7377 Intermediate Similarity NPC472062
0.7377 Intermediate Similarity NPC472069
0.7371 Intermediate Similarity NPC118084
0.7368 Intermediate Similarity NPC237188
0.7365 Intermediate Similarity NPC114637
0.7333 Intermediate Similarity NPC292361
0.7314 Intermediate Similarity NPC311282
0.731 Intermediate Similarity NPC151635
0.7308 Intermediate Similarity NPC477004
0.7283 Intermediate Similarity NPC106757
0.7278 Intermediate Similarity NPC93390
0.7262 Intermediate Similarity NPC41717
0.7258 Intermediate Similarity NPC472064
0.7258 Intermediate Similarity NPC472065
0.7257 Intermediate Similarity NPC467063
0.7255 Intermediate Similarity NPC330326
0.7247 Intermediate Similarity NPC268966
0.7247 Intermediate Similarity NPC324091
0.7241 Intermediate Similarity NPC470677
0.7238 Intermediate Similarity NPC109922
0.7238 Intermediate Similarity NPC128244
0.7235 Intermediate Similarity NPC273532
0.7222 Intermediate Similarity NPC473821
0.7216 Intermediate Similarity NPC133003
0.7204 Intermediate Similarity NPC88115
0.7202 Intermediate Similarity NPC2414
0.7198 Intermediate Similarity NPC78767
0.7198 Intermediate Similarity NPC473814
0.7191 Intermediate Similarity NPC255909
0.7182 Intermediate Similarity NPC202812
0.7179 Intermediate Similarity NPC65408
0.7175 Intermediate Similarity NPC469359
0.7151 Intermediate Similarity NPC139763
0.7151 Intermediate Similarity NPC154339
0.7143 Intermediate Similarity NPC102592
0.7143 Intermediate Similarity NPC472070
0.7143 Intermediate Similarity NPC79356
0.7135 Intermediate Similarity NPC23476
0.7135 Intermediate Similarity NPC474259
0.7135 Intermediate Similarity NPC477415
0.7127 Intermediate Similarity NPC267343
0.7125 Intermediate Similarity NPC230085
0.7125 Intermediate Similarity NPC159630
0.712 Intermediate Similarity NPC237414
0.712 Intermediate Similarity NPC474767
0.7118 Intermediate Similarity NPC470894
0.7104 Intermediate Similarity NPC74153
0.7093 Intermediate Similarity NPC252572
0.7083 Intermediate Similarity NPC214106
0.7081 Intermediate Similarity NPC121327
0.7072 Intermediate Similarity NPC47190
0.707 Intermediate Similarity NPC472288
0.7065 Intermediate Similarity NPC34837
0.7056 Intermediate Similarity NPC475874
0.7051 Intermediate Similarity NPC23215
0.703 Intermediate Similarity NPC107287
0.703 Intermediate Similarity NPC312860
0.7027 Intermediate Similarity NPC81535
0.702 Intermediate Similarity NPC245244
0.702 Intermediate Similarity NPC166424
0.702 Intermediate Similarity NPC146373
0.7017 Intermediate Similarity NPC138370
0.7011 Intermediate Similarity NPC476419
0.7 Intermediate Similarity NPC473628
0.6994 Remote Similarity NPC112741
0.6975 Remote Similarity NPC167400
0.6973 Remote Similarity NPC477044
0.6973 Remote Similarity NPC477041
0.6973 Remote Similarity NPC248782
0.6966 Remote Similarity NPC110158
0.6954 Remote Similarity NPC27740
0.6948 Remote Similarity NPC71236
0.6944 Remote Similarity NPC278434
0.694 Remote Similarity NPC477414
0.694 Remote Similarity NPC221726
0.694 Remote Similarity NPC225622
0.6936 Remote Similarity NPC302647
0.6935 Remote Similarity NPC123395
0.6932 Remote Similarity NPC55772
0.6923 Remote Similarity NPC322488
0.6919 Remote Similarity NPC227582
0.6915 Remote Similarity NPC143977
0.6911 Remote Similarity NPC116555
0.6901 Remote Similarity NPC71132
0.6893 Remote Similarity NPC471997
0.6886 Remote Similarity NPC263455
0.6885 Remote Similarity NPC272458
0.6883 Remote Similarity NPC89490
0.6879 Remote Similarity NPC471943
0.6878 Remote Similarity NPC138562
0.6875 Remote Similarity NPC145885
0.6875 Remote Similarity NPC84827
0.6875 Remote Similarity NPC14113
0.6872 Remote Similarity NPC285923
0.6872 Remote Similarity NPC207851
0.6862 Remote Similarity NPC98864
0.686 Remote Similarity NPC56233
0.6859 Remote Similarity NPC256893
0.6856 Remote Similarity NPC110182
0.6855 Remote Similarity NPC114310
0.6852 Remote Similarity NPC190296
0.6845 Remote Similarity NPC74413
0.6845 Remote Similarity NPC477045
0.6842 Remote Similarity NPC473239
0.6842 Remote Similarity NPC21174
0.6842 Remote Similarity NPC271797
0.6839 Remote Similarity NPC329896
0.6839 Remote Similarity NPC475090
0.6839 Remote Similarity NPC475105
0.6836 Remote Similarity NPC248041
0.6836 Remote Similarity NPC126709
0.6836 Remote Similarity NPC11126
0.6833 Remote Similarity NPC282103
0.6829 Remote Similarity NPC302159
0.6818 Remote Similarity NPC267885
0.6811 Remote Similarity NPC195239
0.6811 Remote Similarity NPC157828
0.6809 Remote Similarity NPC252338
0.6806 Remote Similarity NPC27802
0.68 Remote Similarity NPC477976
0.6795 Remote Similarity NPC282398
0.6791 Remote Similarity NPC476143
0.678 Remote Similarity NPC111275
0.6779 Remote Similarity NPC91958
0.6776 Remote Similarity NPC46358
0.6774 Remote Similarity NPC11445
0.6774 Remote Similarity NPC472116
0.6774 Remote Similarity NPC472293
0.6768 Remote Similarity NPC314372
0.6766 Remote Similarity NPC229893
0.6761 Remote Similarity NPC186068
0.6761 Remote Similarity NPC203468
0.6761 Remote Similarity NPC149155
0.6761 Remote Similarity NPC110500
0.6757 Remote Similarity NPC269886
0.6757 Remote Similarity NPC472210
0.6757 Remote Similarity NPC81802
0.6757 Remote Similarity NPC247735
0.6757 Remote Similarity NPC472295

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC123906 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
0.8224 Intermediate Similarity NPD1270 Approved
0.7959 Intermediate Similarity NPD1627 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD2479 Phase 3
0.7904 Intermediate Similarity NPD2481 Approved
0.7798 Intermediate Similarity NPD1291 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD272 Approved
0.7574 Intermediate Similarity NPD2753 Discontinued
0.7515 Intermediate Similarity NPD3238 Discontinued
0.75 Intermediate Similarity NPD4524 Discontinued
0.7484 Intermediate Similarity NPD9599 Approved
0.7442 Intermediate Similarity NPD4011 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD4848 Phase 1
0.7425 Intermediate Similarity NPD1343 Approved
0.7405 Intermediate Similarity NPD175 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD2214 Approved
0.7378 Intermediate Similarity NPD2213 Approved
0.7356 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD180 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD1292 Clinical (unspecified phase)
0.7318 Intermediate Similarity NPD460 Discontinued
0.7301 Intermediate Similarity NPD2061 Approved
0.7284 Intermediate Similarity NPD9343 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD4643 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD9100 Approved
0.7241 Intermediate Similarity NPD1783 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD4988 Discontinued
0.7197 Intermediate Similarity NPD569 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD3927 Phase 2
0.7181 Intermediate Similarity NPD9357 Approved
0.7179 Intermediate Similarity NPD200 Phase 2
0.7179 Intermediate Similarity NPD201 Phase 2
0.7178 Intermediate Similarity NPD5965 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD7564 Discontinued
0.7159 Intermediate Similarity NPD1096 Discontinued
0.7152 Intermediate Similarity NPD991 Phase 2
0.7152 Intermediate Similarity NPD992 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD107 Approved
0.7143 Intermediate Similarity NPD3583 Phase 2
0.7135 Intermediate Similarity NPD485 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD751 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD2336 Approved
0.7101 Intermediate Similarity NPD1568 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD1643 Phase 3
0.7086 Intermediate Similarity NPD1618 Phase 2
0.7086 Intermediate Similarity NPD9583 Approved
0.7083 Intermediate Similarity NPD5400 Approved
0.7081 Intermediate Similarity NPD8248 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD5820 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD1630 Approved
0.7056 Intermediate Similarity NPD1905 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD9392 Approved
0.7055 Intermediate Similarity NPD9396 Approved
0.7052 Intermediate Similarity NPD4883 Approved
0.7039 Intermediate Similarity NPD2118 Approved
0.7039 Intermediate Similarity NPD2119 Approved
0.7034 Intermediate Similarity NPD269 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4299 Phase 1
0.7005 Intermediate Similarity NPD4924 Clinical (unspecified phase)
0.6994 Remote Similarity NPD9271 Approved
0.6975 Remote Similarity NPD9074 Approved
0.6975 Remote Similarity NPD9075 Approved
0.6968 Remote Similarity NPD4304 Discovery
0.6959 Remote Similarity NPD6446 Discontinued
0.6957 Remote Similarity NPD2307 Discontinued
0.6949 Remote Similarity NPD3178 Discontinued
0.6946 Remote Similarity NPD276 Clinical (unspecified phase)
0.6944 Remote Similarity NPD2770 Discontinued
0.6941 Remote Similarity NPD1631 Approved
0.6931 Remote Similarity NPD3947 Discontinued
0.6927 Remote Similarity NPD4051 Discontinued
0.6923 Remote Similarity NPD4851 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6180 Clinical (unspecified phase)
0.6918 Remote Similarity NPD2896 Discontinued
0.6911 Remote Similarity NPD2510 Approved
0.6911 Remote Similarity NPD2509 Approved
0.691 Remote Similarity NPD7401 Clinical (unspecified phase)
0.6905 Remote Similarity NPD820 Phase 3
0.6902 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6895 Remote Similarity NPD2008 Discontinued
0.6895 Remote Similarity NPD7289 Clinical (unspecified phase)
0.6891 Remote Similarity NPD4614 Clinical (unspecified phase)
0.6885 Remote Similarity NPD4922 Phase 2
0.6882 Remote Similarity NPD6771 Discontinued
0.6879 Remote Similarity NPD1575 Approved
0.6879 Remote Similarity NPD1573 Approved
0.6878 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6872 Remote Similarity NPD721 Approved
0.6865 Remote Similarity NPD1851 Clinical (unspecified phase)
0.6862 Remote Similarity NPD5017 Discontinued
0.6857 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6845 Remote Similarity NPD2405 Phase 3
0.6842 Remote Similarity NPD5088 Discontinued
0.6842 Remote Similarity NPD1545 Discontinued
0.6842 Remote Similarity NPD6288 Clinical (unspecified phase)
0.6837 Remote Similarity NPD3394 Approved
0.6837 Remote Similarity NPD3393 Approved
0.6837 Remote Similarity NPD3389 Approved
0.6821 Remote Similarity NPD6787 Phase 2
0.6818 Remote Similarity NPD749 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6068 Discontinued
0.6811 Remote Similarity NPD7024 Clinical (unspecified phase)
0.6811 Remote Similarity NPD5853 Phase 3
0.6811 Remote Similarity NPD5855 Phase 3
0.6806 Remote Similarity NPD3967 Approved
0.6804 Remote Similarity NPD6152 Phase 1
0.68 Remote Similarity NPD750 Phase 2
0.6795 Remote Similarity NPD3475 Approved
0.6795 Remote Similarity NPD3476 Approved
0.6793 Remote Similarity NPD7098 Clinical (unspecified phase)
0.679 Remote Similarity NPD1722 Approved
0.6788 Remote Similarity NPD4703 Approved
0.6788 Remote Similarity NPD1600 Suspended
0.6788 Remote Similarity NPD4702 Approved
0.678 Remote Similarity NPD5755 Clinical (unspecified phase)
0.6772 Remote Similarity NPD4029 Approved
0.6772 Remote Similarity NPD3942 Approved
0.6772 Remote Similarity NPD3944 Approved
0.6772 Remote Similarity NPD4030 Approved
0.6772 Remote Similarity NPD4028 Approved
0.6769 Remote Similarity NPD2411 Approved
0.6761 Remote Similarity NPD482 Approved
0.6757 Remote Similarity NPD1173 Approved
0.6755 Remote Similarity NPD268 Approved
0.6755 Remote Similarity NPD270 Clinical (unspecified phase)
0.6755 Remote Similarity NPD271 Approved
0.6754 Remote Similarity NPD3247 Clinical (unspecified phase)
0.6748 Remote Similarity NPD2007 Clinical (unspecified phase)
0.6742 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6735 Remote Similarity NPD5888 Phase 2
0.6725 Remote Similarity NPD6454 Clinical (unspecified phase)
0.6722 Remote Similarity NPD5728 Clinical (unspecified phase)
0.671 Remote Similarity NPD1598 Discontinued
0.6704 Remote Similarity NPD5473 Discontinued
0.6701 Remote Similarity NPD3968 Approved
0.6688 Remote Similarity NPD715 Phase 3
0.6687 Remote Similarity NPD198 Clinical (unspecified phase)
0.6686 Remote Similarity NPD5257 Clinical (unspecified phase)
0.6684 Remote Similarity NPD3839 Phase 2
0.6684 Remote Similarity NPD1506 Discontinued
0.6684 Remote Similarity NPD4913 Phase 3
0.6684 Remote Similarity NPD6226 Phase 3
0.6684 Remote Similarity NPD3410 Approved
0.6684 Remote Similarity NPD3840 Phase 2
0.6684 Remote Similarity NPD3890 Phase 2
0.6684 Remote Similarity NPD3891 Phase 2
0.6684 Remote Similarity NPD3905 Phase 3
0.6684 Remote Similarity NPD3411 Phase 2
0.6667 Remote Similarity NPD786 Approved
0.6667 Remote Similarity NPD5322 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5611 Phase 2
0.6667 Remote Similarity NPD5854 Approved
0.6667 Remote Similarity NPD6987 Phase 1
0.6667 Remote Similarity NPD4174 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1586 Approved
0.6649 Remote Similarity NPD7187 Phase 2
0.6649 Remote Similarity NPD2879 Approved
0.6649 Remote Similarity NPD2881 Approved
0.6648 Remote Similarity NPD3347 Clinical (unspecified phase)
0.6631 Remote Similarity NPD7619 Phase 3
0.6631 Remote Similarity NPD7618 Phase 3
0.663 Remote Similarity NPD7175 Phase 1
0.663 Remote Similarity NPD3320 Approved
0.663 Remote Similarity NPD3319 Phase 1
0.663 Remote Similarity NPD3318 Approved
0.6628 Remote Similarity NPD2511 Approved
0.6615 Remote Similarity NPD4912 Phase 3
0.6612 Remote Similarity NPD7026 Phase 2
0.6597 Remote Similarity NPD9099 Clinical (unspecified phase)
0.6597 Remote Similarity NPD9098 Phase 3
0.6596 Remote Similarity NPD2290 Phase 3
0.6596 Remote Similarity NPD2289 Phase 3
0.6595 Remote Similarity NPD5685 Approved
0.6595 Remote Similarity NPD5686 Approved
0.6593 Remote Similarity NPD2096 Phase 2
0.6593 Remote Similarity NPD2091 Phase 2
0.6588 Remote Similarity NPD2809 Approved
0.6585 Remote Similarity NPD5020 Approved
0.6579 Remote Similarity NPD7049 Clinical (unspecified phase)
0.6576 Remote Similarity NPD3246 Discontinued
0.6564 Remote Similarity NPD2070 Approved
0.6564 Remote Similarity NPD768 Clinical (unspecified phase)
0.6564 Remote Similarity NPD2069 Approved
0.6564 Remote Similarity NPD2074 Approved
0.6564 Remote Similarity NPD2073 Approved
0.6564 Remote Similarity NPD2075 Approved
0.6564 Remote Similarity NPD2068 Approved
0.6564 Remote Similarity NPD2071 Approved
0.6564 Remote Similarity NPD2072 Approved
0.6561 Remote Similarity NPD6664 Approved
0.6561 Remote Similarity NPD1952 Discontinued
0.6561 Remote Similarity NPD5446 Phase 2
0.6559 Remote Similarity NPD1658 Discontinued
0.6559 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6556 Remote Similarity NPD1587 Approved
0.6546 Remote Similarity NPD7010 Phase 3
0.6545 Remote Similarity NPD3717 Discontinued
0.6541 Remote Similarity NPD9726 Discontinued
0.6538 Remote Similarity NPD2095 Phase 2
0.6538 Remote Similarity NPD2092 Phase 2

Structure

External Identifiers

PubChem CID   44614384
ChEMBL   CHEMBL1079851
ZINC  

Physicochemical Properties

Molecular Weight:  216.09
ALogP:  0.1501
MLogP:  2.34
XLogP:  1.151
# Rotatable Bonds:  4
Polar Surface Area:  59.06
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  16

Download Data

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