Natural Product: NPC321911

Natural Product ID:  NPC321911
Common Name:   Marinoquinoline A
IUPAC Name:   4-methyl-3H-pyrrolo[2,3-c]quinoline
Synonyms:   Marinoquinoline A
Molecular Formula:   C12H10N2
Standard InCHIKey:  ACXUHCGZGZYMGI-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H10N2/c1-8-12-10(6-7-13-12)9-4-2-3-5-11(9)14-8/h2-7,13H,1H3
Canonical SMILES:  Cc1nc2ccccc2c2c1[nH]cc2
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
NPO30963 Ohtaekwangia kribbensis Species Cytophagaceae Bacteria PMID[21456549]
NPO30507 Rapidithrix thailandica Species Flammeovirgaceae Bacteria PMID[21456549]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1460 Cell Line L929 Mus musculus IC50 = 5.5 ug/ml 21456549
NPT83 Cell Line MCF7 Homo sapiens IC50 = 3.5 ug/ml 21456549
NPT2 Others Unspecified IC50 = 2.2 ug/ml 21456549
NPT737 Cell Line HUVEC Homo sapiens IC50 = 1.5 ug/ml 21456549
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 9800 nM 21456549
NPT633 Organism Leishmania donovani Leishmania donovani IC50 > 548800 nM 21456549
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 29500 nM 21456549
NPT844 Organism Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 = 54400 nM 21456549
NPT839 Cell Line L6 Rattus norvegicus IC50 = 30600 nM 21456549

  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 NPC321911 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
0.9928 High Similarity NPC201380
0.9928 High Similarity NPC179787
0.9928 High Similarity NPC469811
0.9856 High Similarity NPC63545
0.965 High Similarity NPC325903
0.9452 High Similarity NPC236711
0.9357 High Similarity NPC115611
0.9324 High Similarity NPC122141
0.9324 High Similarity NPC470204
0.9281 High Similarity NPC84911
0.9262 High Similarity NPC470203
0.9209 High Similarity NPC96102
0.9209 High Similarity NPC29886
0.9209 High Similarity NPC261195
0.92 High Similarity NPC317105
0.9149 High Similarity NPC110126
0.9149 High Similarity NPC73767
0.9143 High Similarity NPC105127
0.9085 High Similarity NPC469784
0.9085 High Similarity NPC469767
0.9085 High Similarity NPC469768
0.9085 High Similarity NPC469779
0.9085 High Similarity NPC469783
0.9085 High Similarity NPC469761
0.9085 High Similarity NPC469780
0.9071 High Similarity NPC325252
0.9034 High Similarity NPC288838
0.9021 High Similarity NPC469766
0.9013 High Similarity NPC274229
0.9 High Similarity NPC198988
0.898 High Similarity NPC53947
0.8973 High Similarity NPC470111
0.8958 High Similarity NPC190296
0.8951 High Similarity NPC279081
0.8921 High Similarity NPC82295
0.8903 High Similarity NPC82331
0.8854 High Similarity NPC474958
0.8839 High Similarity NPC97343
0.8836 High Similarity NPC314372
0.8819 High Similarity NPC230002
0.8792 High Similarity NPC470233
0.8776 High Similarity NPC143872
0.8758 High Similarity NPC225018
0.8734 High Similarity NPC280852
0.8716 High Similarity NPC471957
0.8707 High Similarity NPC159856
0.8693 High Similarity NPC44773
0.8693 High Similarity NPC215584
0.869 High Similarity NPC284635
0.8627 High Similarity NPC56765
0.8621 High Similarity NPC88097
0.86 High Similarity NPC24678
0.86 High Similarity NPC105818
0.8582 High Similarity NPC22079
0.8562 High Similarity NPC216643
0.8553 High Similarity NPC476219
0.8553 High Similarity NPC476297
0.8543 High Similarity NPC470823
0.8542 High Similarity NPC218268
0.8519 High Similarity NPC307191
0.8519 High Similarity NPC191415
0.8506 High Similarity NPC135141
0.8506 High Similarity NPC477591
0.8506 High Similarity NPC92796
0.8487 Intermediate Similarity NPC25008
0.8487 Intermediate Similarity NPC73952
0.8487 Intermediate Similarity NPC469760
0.8487 Intermediate Similarity NPC141926
0.8487 Intermediate Similarity NPC200214
0.8487 Intermediate Similarity NPC469763
0.8487 Intermediate Similarity NPC259644
0.8487 Intermediate Similarity NPC469786
0.8487 Intermediate Similarity NPC469765
0.8477 Intermediate Similarity NPC40070
0.8462 Intermediate Similarity NPC478184
0.8462 Intermediate Similarity NPC90723
0.8456 Intermediate Similarity NPC470440
0.8456 Intermediate Similarity NPC204141
0.8442 Intermediate Similarity NPC286427
0.8438 Intermediate Similarity NPC471579
0.8435 Intermediate Similarity NPC59084
0.8435 Intermediate Similarity NPC2949
0.8431 Intermediate Similarity NPC34844
0.8431 Intermediate Similarity NPC212376
0.8431 Intermediate Similarity NPC211572
0.8431 Intermediate Similarity NPC80597
0.8431 Intermediate Similarity NPC75540
0.8431 Intermediate Similarity NPC70922
0.8429 Intermediate Similarity NPC250361
0.8421 Intermediate Similarity NPC216713
0.8415 Intermediate Similarity NPC284678
0.8387 Intermediate Similarity NPC293487
0.8387 Intermediate Similarity NPC206819
0.8387 Intermediate Similarity NPC318065
0.8387 Intermediate Similarity NPC41257
0.838 Intermediate Similarity NPC473587
0.8378 Intermediate Similarity NPC63157
0.8378 Intermediate Similarity NPC473868
0.8356 Intermediate Similarity NPC251722
0.8356 Intermediate Similarity NPC314102
0.8354 Intermediate Similarity NPC48938
0.8354 Intermediate Similarity NPC102755
0.8345 Intermediate Similarity NPC46358
0.8344 Intermediate Similarity NPC478182
0.8322 Intermediate Similarity NPC475428
0.831 Intermediate Similarity NPC473762
0.828 Intermediate Similarity NPC282231
0.8273 Intermediate Similarity NPC41174
0.8264 Intermediate Similarity NPC475450
0.8264 Intermediate Similarity NPC179365
0.8258 Intermediate Similarity NPC469785
0.8231 Intermediate Similarity NPC150259
0.8231 Intermediate Similarity NPC125746
0.8217 Intermediate Similarity NPC279918
0.8205 Intermediate Similarity NPC469762
0.8204 Intermediate Similarity NPC62749
0.8166 Intermediate Similarity NPC231536
0.8165 Intermediate Similarity NPC478185
0.8158 Intermediate Similarity NPC316069
0.8156 Intermediate Similarity NPC27740
0.8153 Intermediate Similarity NPC221786
0.8153 Intermediate Similarity NPC475990
0.8153 Intermediate Similarity NPC474880
0.8137 Intermediate Similarity NPC91895
0.8125 Intermediate Similarity NPC56233
0.8125 Intermediate Similarity NPC474561
0.8125 Intermediate Similarity NPC49954
0.8125 Intermediate Similarity NPC478183
0.8113 Intermediate Similarity NPC311276
0.8105 Intermediate Similarity NPC21605
0.8101 Intermediate Similarity NPC131718
0.8101 Intermediate Similarity NPC229173
0.8084 Intermediate Similarity NPC108011
0.8082 Intermediate Similarity NPC473930
0.8075 Intermediate Similarity NPC63751
0.807 Intermediate Similarity NPC324149
0.8069 Intermediate Similarity NPC282398
0.8063 Intermediate Similarity NPC280864
0.8063 Intermediate Similarity NPC17751
0.8054 Intermediate Similarity NPC169433
0.8038 Intermediate Similarity NPC230869
0.8037 Intermediate Similarity NPC477611
0.8025 Intermediate Similarity NPC32534
0.8025 Intermediate Similarity NPC194411
0.8023 Intermediate Similarity NPC326422
0.8012 Intermediate Similarity NPC160105
0.8012 Intermediate Similarity NPC54988
0.8012 Intermediate Similarity NPC49217
0.8 Intermediate Similarity NPC40779
0.8 Intermediate Similarity NPC33421
0.8 Intermediate Similarity NPC149265
0.7988 Intermediate Similarity NPC317054
0.7986 Intermediate Similarity NPC91958
0.7975 Intermediate Similarity NPC470498
0.7972 Intermediate Similarity NPC146373
0.7972 Intermediate Similarity NPC166424
0.7972 Intermediate Similarity NPC245244
0.7963 Intermediate Similarity NPC201700
0.7961 Intermediate Similarity NPC20144
0.7952 Intermediate Similarity NPC11126
0.7904 Intermediate Similarity NPC314919
0.7892 Intermediate Similarity NPC59269
0.7892 Intermediate Similarity NPC473380
0.7892 Intermediate Similarity NPC240088
0.7888 Intermediate Similarity NPC194640
0.7888 Intermediate Similarity NPC102423
0.7879 Intermediate Similarity NPC37423
0.7879 Intermediate Similarity NPC275305
0.7857 Intermediate Similarity NPC285731
0.7857 Intermediate Similarity NPC86288
0.7844 Intermediate Similarity NPC12649
0.7844 Intermediate Similarity NPC265710
0.7842 Intermediate Similarity NPC148140
0.7841 Intermediate Similarity NPC265576
0.7824 Intermediate Similarity NPC15102
0.7824 Intermediate Similarity NPC308931
0.7824 Intermediate Similarity NPC99939
0.7821 Intermediate Similarity NPC2272
0.7818 Intermediate Similarity NPC314603
0.7817 Intermediate Similarity NPC48564
0.7817 Intermediate Similarity NPC182570
0.7817 Intermediate Similarity NPC265605
0.7806 Intermediate Similarity NPC478186
0.7805 Intermediate Similarity NPC474897
0.7799 Intermediate Similarity NPC476464
0.7798 Intermediate Similarity NPC16659
0.7797 Intermediate Similarity NPC237414
0.7786 Intermediate Similarity NPC81561
0.7784 Intermediate Similarity NPC248454
0.7784 Intermediate Similarity NPC68354
0.7784 Intermediate Similarity NPC284775
0.7778 Intermediate Similarity NPC21174
0.7778 Intermediate Similarity NPC271797
0.7778 Intermediate Similarity NPC94752
0.7778 Intermediate Similarity NPC247987
0.777 Intermediate Similarity NPC101165
0.7765 Intermediate Similarity NPC228835
0.7763 Intermediate Similarity NPC104483
0.7763 Intermediate Similarity NPC312092
0.7753 Intermediate Similarity NPC19872

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC321911 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
0.9291 High Similarity NPD1722 Approved
0.9209 High Similarity NPD198 Clinical (unspecified phase)
0.9149 High Similarity NPD786 Approved
0.8859 High Similarity NPD2837 Discontinued
0.8784 High Similarity NPD4374 Clinical (unspecified phase)
0.8784 High Similarity NPD3100 Discontinued
0.86 High Similarity NPD2172 Phase 1
0.8582 High Similarity NPD715 Phase 3
0.8581 High Similarity NPD3323 Discontinued
0.8571 High Similarity NPD4637 Clinical (unspecified phase)
0.8516 High Similarity NPD1853 Clinical (unspecified phase)
0.8369 Intermediate Similarity NPD992 Clinical (unspecified phase)
0.8369 Intermediate Similarity NPD991 Phase 2
0.8344 Intermediate Similarity NPD4547 Phase 3
0.8322 Intermediate Similarity NPD2006 Phase 2
0.8312 Intermediate Similarity NPD976 Approved
0.8312 Intermediate Similarity NPD977 Approved
0.8312 Intermediate Similarity NPD975 Approved
0.8311 Intermediate Similarity NPD3943 Clinical (unspecified phase)
0.8302 Intermediate Similarity NPD2640 Approved
0.8302 Intermediate Similarity NPD2641 Approved
0.8293 Intermediate Similarity NPD1895 Discontinued
0.8289 Intermediate Similarity NPD2430 Phase 2
0.8278 Intermediate Similarity NPD1683 Approved
0.8267 Intermediate Similarity NPD1918 Clinical (unspecified phase)
0.8232 Intermediate Similarity NPD6277 Clinical (unspecified phase)
0.8221 Intermediate Similarity NPD4181 Approved
0.8217 Intermediate Similarity NPD1403 Approved
0.8217 Intermediate Similarity NPD1404 Approved
0.8205 Intermediate Similarity NPD1192 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD2007 Clinical (unspecified phase)
0.8199 Intermediate Similarity NPD3610 Approved
0.8199 Intermediate Similarity NPD3609 Approved
0.8199 Intermediate Similarity NPD1567 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD3475 Approved
0.8194 Intermediate Similarity NPD3476 Approved
0.8151 Intermediate Similarity NPD3385 Approved
0.8146 Intermediate Similarity NPD5254 Discontinued
0.8112 Intermediate Similarity NPD2119 Approved
0.8112 Intermediate Similarity NPD2118 Approved
0.8098 Intermediate Similarity NPD4128 Approved
0.8098 Intermediate Similarity NPD5065 Approved
0.8075 Intermediate Similarity NPD4779 Clinical (unspecified phase)
0.8075 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.8072 Intermediate Similarity NPD4649 Clinical (unspecified phase)
0.8014 Intermediate Similarity NPD803 Phase 1
0.8012 Intermediate Similarity NPD2639 Approved
0.8012 Intermediate Similarity NPD2642 Approved
0.8 Intermediate Similarity NPD4463 Approved
0.8 Intermediate Similarity NPD4462 Approved
0.7987 Intermediate Similarity NPD1262 Discovery
0.7963 Intermediate Similarity NPD2390 Clinical (unspecified phase)
0.7963 Intermediate Similarity NPD2185 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD3341 Clinical (unspecified phase)
0.7937 Intermediate Similarity NPD2385 Clinical (unspecified phase)
0.7929 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD9583 Approved
0.7914 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7911 Intermediate Similarity NPD2580 Discontinued
0.7911 Intermediate Similarity NPD473 Clinical (unspecified phase)
0.7905 Intermediate Similarity NPD4028 Approved
0.7905 Intermediate Similarity NPD4029 Approved
0.7905 Intermediate Similarity NPD4030 Approved
0.7904 Intermediate Similarity NPD6595 Phase 3
0.7901 Intermediate Similarity NPD1248 Discontinued
0.7877 Intermediate Similarity NPD3654 Approved
0.7871 Intermediate Similarity NPD1661 Suspended
0.7862 Intermediate Similarity NPD2865 Clinical (unspecified phase)
0.7848 Intermediate Similarity NPD2165 Phase 1
0.7836 Intermediate Similarity NPD2310 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD4075 Phase 2
0.7817 Intermediate Similarity NPD9598 Discontinued
0.7817 Intermediate Similarity NPD268 Approved
0.7817 Intermediate Similarity NPD271 Approved
0.7817 Intermediate Similarity NPD270 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD5436 Phase 1
0.78 Intermediate Similarity NPD1255 Approved
0.78 Intermediate Similarity NPD1256 Approved
0.78 Intermediate Similarity NPD1253 Approved
0.78 Intermediate Similarity NPD1254 Approved
0.7799 Intermediate Similarity NPD3113 Approved
0.7799 Intermediate Similarity NPD3114 Approved
0.7799 Intermediate Similarity NPD3112 Approved
0.7799 Intermediate Similarity NPD3115 Approved
0.7786 Intermediate Similarity NPD9396 Approved
0.7786 Intermediate Similarity NPD9392 Approved
0.7785 Intermediate Similarity NPD3942 Approved
0.7785 Intermediate Similarity NPD3944 Approved
0.7784 Intermediate Similarity NPD3505 Approved
0.7784 Intermediate Similarity NPD3506 Approved
0.7784 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD9357 Approved
0.777 Intermediate Similarity NPD269 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD768 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD1708 Approved
0.7751 Intermediate Similarity NPD1707 Approved
0.7748 Intermediate Similarity NPD6554 Approved
0.7748 Intermediate Similarity NPD45 Approved
0.7744 Intermediate Similarity NPD2333 Discontinued
0.7738 Intermediate Similarity NPD4076 Approved
0.7738 Intermediate Similarity NPD4079 Approved
0.7738 Intermediate Similarity NPD2930 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD5590 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD5744 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD1313 Approved
0.7725 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD1332 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD5105 Approved
0.7706 Intermediate Similarity NPD5106 Approved
0.7706 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD5418 Discontinued
0.7679 Intermediate Similarity NPD2144 Approved
0.7674 Intermediate Similarity NPD3378 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD7618 Phase 3
0.767 Intermediate Similarity NPD7619 Phase 3
0.7665 Intermediate Similarity NPD482 Approved
0.7644 Intermediate Similarity NPD5145 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD947 Approved
0.763 Intermediate Similarity NPD3961 Discontinued
0.763 Intermediate Similarity NPD3486 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD6278 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD1598 Discontinued
0.7616 Intermediate Similarity NPD1227 Phase 2
0.7607 Intermediate Similarity NPD5315 Discontinued
0.7586 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD2880 Discontinued
0.758 Intermediate Similarity NPD1528 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD7111 Discontinued
0.7572 Intermediate Similarity NPD6217 Discontinued
0.7572 Intermediate Similarity NPD2793 Discontinued
0.7566 Intermediate Similarity NPD490 Clinical (unspecified phase)
0.7558 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD6827 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD6828 Phase 2
0.7544 Intermediate Similarity NPD3038 Discontinued
0.7532 Intermediate Similarity NPD2069 Approved
0.7532 Intermediate Similarity NPD2068 Approved
0.7532 Intermediate Similarity NPD2070 Approved
0.7532 Intermediate Similarity NPD2074 Approved
0.7532 Intermediate Similarity NPD2075 Approved
0.7532 Intermediate Similarity NPD2071 Approved
0.7532 Intermediate Similarity NPD2072 Approved
0.7532 Intermediate Similarity NPD2073 Approved
0.7529 Intermediate Similarity NPD8431 Approved
0.7528 Intermediate Similarity NPD2960 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD1561 Phase 2
0.7515 Intermediate Similarity NPD509 Phase 3
0.7515 Intermediate Similarity NPD3348 Phase 2
0.7514 Intermediate Similarity NPD3485 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4112 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1015 Phase 2
0.75 Intermediate Similarity NPD1016 Phase 2
0.7485 Intermediate Similarity NPD2875 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD5962 Phase 2
0.7473 Intermediate Similarity NPD3015 Discontinued
0.747 Intermediate Similarity NPD2478 Clinical (unspecified phase)
0.7469 Intermediate Similarity NPD2150 Discontinued
0.7469 Intermediate Similarity NPD2927 Phase 3
0.7469 Intermediate Similarity NPD2748 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD7469 Discontinued
0.7453 Intermediate Similarity NPD3339 Approved
0.7438 Intermediate Similarity NPD1029 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD1030 Approved
0.7438 Intermediate Similarity NPD1027 Approved
0.7429 Intermediate Similarity NPD7394 Phase 2
0.7427 Intermediate Similarity NPD1327 Discontinued
0.7421 Intermediate Similarity NPD4703 Approved
0.7421 Intermediate Similarity NPD4702 Approved
0.741 Intermediate Similarity NPD2720 Phase 1
0.741 Intermediate Similarity NPD2719 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD1333 Phase 3
0.7401 Intermediate Similarity NPD3419 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD2094 Phase 2
0.7399 Intermediate Similarity NPD2095 Phase 2
0.7399 Intermediate Similarity NPD2092 Phase 2
0.7397 Intermediate Similarity NPD748 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD750 Phase 2
0.7394 Intermediate Similarity NPD6771 Discontinued
0.7389 Intermediate Similarity NPD4047 Discontinued
0.7384 Intermediate Similarity NPD702 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD1873 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD706 Phase 1
0.7371 Intermediate Similarity NPD4902 Discontinued
0.736 Intermediate Similarity NPD4615 Phase 2
0.7356 Intermediate Similarity NPD4957 Phase 2
0.7356 Intermediate Similarity NPD6178 Phase 3
0.7356 Intermediate Similarity NPD2096 Phase 2
0.7356 Intermediate Similarity NPD2091 Phase 2
0.7351 Intermediate Similarity NPD2008 Discontinued
0.7351 Intermediate Similarity NPD4023 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD3583 Phase 2
0.7337 Intermediate Similarity NPD3116 Approved
0.7337 Intermediate Similarity NPD5934 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD3117 Approved
0.7333 Intermediate Similarity NPD6454 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD3833 Phase 3
0.7329 Intermediate Similarity NPD3835 Phase 3
0.7322 Intermediate Similarity NPD4318 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD4326 Phase 2

Structure

External Identifiers

PubChem CID   52952002
ChEMBL   CHEMBL1773677
ZINC  

Physicochemical Properties

Molecular Weight:  182.08
ALogP:  0.0191
MLogP:  2.56
XLogP:  2.968
# Rotatable Bonds:  1
Polar Surface Area:  28.68
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  14

Download Data

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