Drug Information

Drug ID:  NPD715
Drug Name:  Abametapir
Molecular Formula:  C12H12N2
Canonical SMILES:  Cc1ccc(nc1)c1ccc(cn1)C
Standard InCHI:  InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
Standard InCHIKey:  PTRATZCAGVBFIQ-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD715

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.8672 NPC46358
High Similarity 0.8643 NPC470111
High Similarity 0.8643 NPC179787
High Similarity 0.8643 NPC201380
High Similarity 0.8582 NPC321911
High Similarity 0.8571 NPC63545
High Similarity 0.8511 NPC469811
Intermediate Similarity 0.8462 NPC476322
Intermediate Similarity 0.8425 NPC91958
Intermediate Similarity 0.8397 NPC146373
Intermediate Similarity 0.8397 NPC245244
Intermediate Similarity 0.8397 NPC166424
Intermediate Similarity 0.8394 NPC251722
Intermediate Similarity 0.8394 NPC314102
Intermediate Similarity 0.8392 NPC40070
Intermediate Similarity 0.8276 NPC325903
Intermediate Similarity 0.8239 NPC86288
Intermediate Similarity 0.8231 NPC265605
Intermediate Similarity 0.8231 NPC236711
Intermediate Similarity 0.8231 NPC182570
Intermediate Similarity 0.8231 NPC48564
Intermediate Similarity 0.8226 NPC27802
Intermediate Similarity 0.8222 NPC69914
Intermediate Similarity 0.8203 NPC471402
Intermediate Similarity 0.8203 NPC240136
Intermediate Similarity 0.8203 NPC297486
Intermediate Similarity 0.8176 NPC477591
Intermediate Similarity 0.8162 NPC256893
Intermediate Similarity 0.8148 NPC476131
Intermediate Similarity 0.814 NPC143603
Intermediate Similarity 0.813 NPC76540
Intermediate Similarity 0.813 NPC231655
Intermediate Similarity 0.8125 NPC148140
Intermediate Similarity 0.8106 NPC290094
Intermediate Similarity 0.8088 NPC282398
Intermediate Similarity 0.8082 NPC470233
Intermediate Similarity 0.8071 NPC169433
Intermediate Similarity 0.8062 NPC81561
Intermediate Similarity 0.8054 NPC293487
Intermediate Similarity 0.803 NPC329825
Intermediate Similarity 0.8026 NPC56233
Intermediate Similarity 0.8014 NPC316811
Intermediate Similarity 0.8014 NPC32002
Intermediate Similarity 0.8014 NPC315348
Intermediate Similarity 0.8013 NPC478182
Intermediate Similarity 0.8 NPC150259
Intermediate Similarity 0.8 NPC470204
Intermediate Similarity 0.8 NPC122141
Intermediate Similarity 0.8 NPC84911
Intermediate Similarity 0.7972 NPC20144
Intermediate Similarity 0.7958 NPC115611
Intermediate Similarity 0.7947 NPC470203
Intermediate Similarity 0.7947 NPC225018
Intermediate Similarity 0.7929 NPC261195
Intermediate Similarity 0.7929 NPC29886
Intermediate Similarity 0.7929 NPC96102
Intermediate Similarity 0.7926 NPC202957
Intermediate Similarity 0.7926 NPC169625
Intermediate Similarity 0.791 NPC27740
Intermediate Similarity 0.7905 NPC138842
Intermediate Similarity 0.7895 NPC317105
Intermediate Similarity 0.7895 NPC478184
Intermediate Similarity 0.7887 NPC73767
Intermediate Similarity 0.7887 NPC110126
Intermediate Similarity 0.7879 NPC215519
Intermediate Similarity 0.7872 NPC105127
Intermediate Similarity 0.7863 NPC54102
Intermediate Similarity 0.7863 NPC162689
Intermediate Similarity 0.7857 NPC198988
Intermediate Similarity 0.7852 NPC476219
Intermediate Similarity 0.7843 NPC274229
Intermediate Similarity 0.7834 NPC280852
Intermediate Similarity 0.7832 NPC469767
Intermediate Similarity 0.7832 NPC469779
Intermediate Similarity 0.7832 NPC469768
Intermediate Similarity 0.7832 NPC469780
Intermediate Similarity 0.7832 NPC469783
Intermediate Similarity 0.7832 NPC469784
Intermediate Similarity 0.7832 NPC469761
Intermediate Similarity 0.7829 NPC478185
Intermediate Similarity 0.7829 NPC143156
Intermediate Similarity 0.781 NPC89490
Intermediate Similarity 0.7806 NPC91895
Intermediate Similarity 0.7801 NPC325252
Intermediate Similarity 0.7792 NPC478183
Intermediate Similarity 0.7778 NPC469766
Intermediate Similarity 0.7771 NPC297034
Intermediate Similarity 0.7771 NPC471579
Intermediate Similarity 0.777 NPC82295
Intermediate Similarity 0.777 NPC101165
Intermediate Similarity 0.7762 NPC88097
Intermediate Similarity 0.7756 NPC82331
Intermediate Similarity 0.7754 NPC475090
Intermediate Similarity 0.7754 NPC329896
Intermediate Similarity 0.7754 NPC475105
Intermediate Similarity 0.7737 NPC471313
Intermediate Similarity 0.7737 NPC471311
Intermediate Similarity 0.7724 NPC190296
Intermediate Similarity 0.7708 NPC279081
Intermediate Similarity 0.7692 NPC97343
Intermediate Similarity 0.7692 NPC32534
Intermediate Similarity 0.7687 NPC288838
Intermediate Similarity 0.7674 NPC235843
Intermediate Similarity 0.7658 NPC317054
Intermediate Similarity 0.7651 NPC53947
Intermediate Similarity 0.7647 NPC25899
Intermediate Similarity 0.7647 NPC122718
Intermediate Similarity 0.7642 NPC83987
Intermediate Similarity 0.7619 NPC285731
Intermediate Similarity 0.7619 NPC314372
Intermediate Similarity 0.7616 NPC476297
Intermediate Similarity 0.761 NPC474958
Intermediate Similarity 0.7586 NPC284635
Intermediate Similarity 0.7586 NPC230002
Intermediate Similarity 0.7568 NPC143872
Intermediate Similarity 0.7532 NPC44773
Intermediate Similarity 0.7532 NPC215584
Intermediate Similarity 0.7518 NPC324611
Intermediate Similarity 0.7518 NPC471322
Intermediate Similarity 0.7517 NPC471957
Intermediate Similarity 0.7517 NPC104483
Intermediate Similarity 0.7516 NPC12649
Intermediate Similarity 0.75 NPC159856
Intermediate Similarity 0.7484 NPC48192
Intermediate Similarity 0.748 NPC213774
Intermediate Similarity 0.7468 NPC56765
Intermediate Similarity 0.7451 NPC476464
Intermediate Similarity 0.745 NPC478186
Intermediate Similarity 0.7447 NPC22079
Intermediate Similarity 0.7444 NPC476566
Intermediate Similarity 0.7423 NPC191415
Intermediate Similarity 0.7421 NPC201634
Intermediate Similarity 0.7417 NPC24678
Intermediate Similarity 0.7417 NPC105818
Intermediate Similarity 0.741 NPC476140
Intermediate Similarity 0.7403 NPC129721
Intermediate Similarity 0.7383 NPC470440
Intermediate Similarity 0.7379 NPC65408
Intermediate Similarity 0.7368 NPC470823
Intermediate Similarity 0.7362 NPC24864
Intermediate Similarity 0.7358 NPC476518
Intermediate Similarity 0.7347 NPC2949
Intermediate Similarity 0.7347 NPC59084
Intermediate Similarity 0.7338 NPC51054
Intermediate Similarity 0.7333 NPC284678
Intermediate Similarity 0.7325 NPC90723
Intermediate Similarity 0.7321 NPC231536
Intermediate Similarity 0.732 NPC25008
Intermediate Similarity 0.732 NPC469760
Intermediate Similarity 0.732 NPC141926
Intermediate Similarity 0.732 NPC469763
Intermediate Similarity 0.732 NPC73952
Intermediate Similarity 0.732 NPC469786
Intermediate Similarity 0.732 NPC200214
Intermediate Similarity 0.732 NPC469765
Intermediate Similarity 0.732 NPC259644
Intermediate Similarity 0.7317 NPC307191
Intermediate Similarity 0.7312 NPC14651
Intermediate Similarity 0.7312 NPC121658
Intermediate Similarity 0.731 NPC218268
Intermediate Similarity 0.7297 NPC473868
Intermediate Similarity 0.7297 NPC63157
Intermediate Similarity 0.729 NPC216643
Intermediate Similarity 0.729 NPC469897
Intermediate Similarity 0.729 NPC286427
Intermediate Similarity 0.7286 NPC135488
Intermediate Similarity 0.7285 NPC21605
Intermediate Similarity 0.7273 NPC80597
Intermediate Similarity 0.7273 NPC212376
Intermediate Similarity 0.7273 NPC211572
Intermediate Similarity 0.7273 NPC34844
Intermediate Similarity 0.7273 NPC102755
Intermediate Similarity 0.7273 NPC75540
Intermediate Similarity 0.7273 NPC70922
Intermediate Similarity 0.7273 NPC48938
Intermediate Similarity 0.7267 NPC204141
Intermediate Similarity 0.7267 NPC111624
Intermediate Similarity 0.7267 NPC469525
Intermediate Similarity 0.726 NPC471312
Intermediate Similarity 0.7255 NPC216713
Intermediate Similarity 0.7246 NPC41174
Intermediate Similarity 0.7244 NPC92796
Intermediate Similarity 0.7244 NPC318065
Intermediate Similarity 0.7244 NPC206819
Intermediate Similarity 0.7244 NPC41257
Intermediate Similarity 0.7244 NPC135141
Intermediate Similarity 0.7239 NPC157583
Intermediate Similarity 0.7234 NPC212125
Intermediate Similarity 0.7229 NPC108011
Intermediate Similarity 0.7215 NPC265100
Intermediate Similarity 0.7197 NPC255229
Intermediate Similarity 0.7197 NPC81229
Intermediate Similarity 0.7197 NPC229173
Intermediate Similarity 0.7181 NPC476454
Intermediate Similarity 0.7181 NPC88121
Intermediate Similarity 0.7163 NPC250361
Intermediate Similarity 0.7152 NPC73994
Intermediate Similarity 0.7152 NPC282231
Intermediate Similarity 0.7143 NPC62749
Intermediate Similarity 0.7143 NPC125746

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  184.10
ALogP  1.284
MLogP  2.56
XLogP  2.962
HDA  2
HBD  0
Rotatable Bonds  3
TPSA  25.78
RO5 Violation  0