Drug Information

Drug ID:  NPD1291
Drug Name:  
Molecular Formula:  C14H15N3O
Canonical SMILES:  Cc1nn2c(c1C(=O)C1=CNCCC1)cccc2
Standard InCHI:  InChI=1S/C14H15N3O/c1-10-13(12-6-2-3-8-17(12)16-10)14(18)11-5-4-7-15-9-11/h2-3,6,8-9,15H,4-5,7H2,1H3
Standard InCHIKey:  SLMUMPSLUWOXAO-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1291

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
Intermediate Similarity 0.8136 NPC191415
Intermediate Similarity 0.807 NPC265100
Intermediate Similarity 0.8068 NPC284775
Intermediate Similarity 0.8054 NPC167710
Intermediate Similarity 0.8049 NPC467188
Intermediate Similarity 0.7976 NPC251391
Intermediate Similarity 0.7944 NPC477003
Intermediate Similarity 0.7919 NPC42372
Intermediate Similarity 0.7917 NPC70406
Intermediate Similarity 0.7895 NPC474492
Intermediate Similarity 0.7877 NPC73994
Intermediate Similarity 0.7853 NPC293216
Intermediate Similarity 0.7853 NPC469529
Intermediate Similarity 0.7849 NPC470680
Intermediate Similarity 0.7849 NPC100104
Intermediate Similarity 0.7845 NPC467063
Intermediate Similarity 0.7844 NPC105811
Intermediate Similarity 0.7838 NPC216550
Intermediate Similarity 0.7798 NPC123906
Intermediate Similarity 0.7796 NPC304203
Intermediate Similarity 0.7796 NPC326422
Intermediate Similarity 0.779 NPC102755
Intermediate Similarity 0.7784 NPC476460
Intermediate Similarity 0.7765 NPC83774
Intermediate Similarity 0.7751 NPC471655
Intermediate Similarity 0.7751 NPC313889
Intermediate Similarity 0.7751 NPC473878
Intermediate Similarity 0.7738 NPC100726
Intermediate Similarity 0.7719 NPC209362
Intermediate Similarity 0.7706 NPC217021
Intermediate Similarity 0.7706 NPC470679
Intermediate Similarity 0.7701 NPC242116
Intermediate Similarity 0.7697 NPC252572
Intermediate Similarity 0.7688 NPC80681
Intermediate Similarity 0.768 NPC61011
Intermediate Similarity 0.7637 NPC470677
Intermediate Similarity 0.7627 NPC70949
Intermediate Similarity 0.7617 NPC317701
Intermediate Similarity 0.7581 NPC103119
Intermediate Similarity 0.7577 NPC88115
Intermediate Similarity 0.7571 NPC114637
Intermediate Similarity 0.7569 NPC157583
Intermediate Similarity 0.7569 NPC237188
Intermediate Similarity 0.7566 NPC202812
Intermediate Similarity 0.7565 NPC106757
Intermediate Similarity 0.7554 NPC46895
Intermediate Similarity 0.7529 NPC213914
Intermediate Similarity 0.7514 NPC229055
Intermediate Similarity 0.7514 NPC151635
Intermediate Similarity 0.75 NPC237414
Intermediate Similarity 0.7471 NPC74357
Intermediate Similarity 0.7458 NPC274981
Intermediate Similarity 0.7458 NPC478184
Intermediate Similarity 0.7447 NPC154339
Intermediate Similarity 0.7447 NPC324091
Intermediate Similarity 0.7444 NPC262338
Intermediate Similarity 0.7421 NPC267343
Intermediate Similarity 0.7419 NPC133003
Intermediate Similarity 0.7416 NPC115232
Intermediate Similarity 0.7416 NPC233380
Intermediate Similarity 0.7409 NPC81535
Intermediate Similarity 0.7409 NPC477004
Intermediate Similarity 0.7374 NPC116555
Intermediate Similarity 0.7368 NPC272458
Intermediate Similarity 0.7366 NPC21429
Intermediate Similarity 0.7366 NPC110158
Intermediate Similarity 0.7358 NPC34837
Intermediate Similarity 0.7344 NPC128244
Intermediate Similarity 0.7344 NPC102592
Intermediate Similarity 0.7344 NPC79356
Intermediate Similarity 0.7337 NPC11126
Intermediate Similarity 0.7326 NPC99939
Intermediate Similarity 0.7326 NPC308931
Intermediate Similarity 0.7316 NPC138370
Intermediate Similarity 0.7305 NPC65408
Intermediate Similarity 0.7303 NPC214106
Intermediate Similarity 0.7297 NPC477042
Intermediate Similarity 0.7294 NPC190296
Intermediate Similarity 0.7293 NPC471943
Intermediate Similarity 0.7289 NPC291517
Intermediate Similarity 0.7288 NPC293487
Intermediate Similarity 0.7283 NPC102664
Intermediate Similarity 0.7273 NPC472065
Intermediate Similarity 0.7268 NPC471579
Intermediate Similarity 0.7263 NPC478182
Intermediate Similarity 0.7249 NPC278434
Intermediate Similarity 0.7231 NPC284338
Intermediate Similarity 0.7219 NPC110126
Intermediate Similarity 0.7211 NPC255909
Intermediate Similarity 0.7209 NPC314372
Intermediate Similarity 0.7205 NPC27740
Intermediate Similarity 0.7204 NPC182940
Intermediate Similarity 0.7204 NPC79777
Intermediate Similarity 0.7202 NPC105127
Intermediate Similarity 0.7202 NPC84911
Intermediate Similarity 0.72 NPC472260
Intermediate Similarity 0.7196 NPC17273
Intermediate Similarity 0.7196 NPC141612
Intermediate Similarity 0.7196 NPC135601
Intermediate Similarity 0.7194 NPC121327
Intermediate Similarity 0.7188 NPC47190
Intermediate Similarity 0.7184 NPC321911
Intermediate Similarity 0.7182 NPC56233
Intermediate Similarity 0.7181 NPC228835
Intermediate Similarity 0.7167 NPC271797
Intermediate Similarity 0.7167 NPC21174
Intermediate Similarity 0.7151 NPC55772
Intermediate Similarity 0.7143 NPC78020
Intermediate Similarity 0.7143 NPC261195
Intermediate Similarity 0.7143 NPC29886
Intermediate Similarity 0.7143 NPC96102
Intermediate Similarity 0.7135 NPC267885
Intermediate Similarity 0.7134 NPC471589
Intermediate Similarity 0.7128 NPC227582
Intermediate Similarity 0.7128 NPC106824
Intermediate Similarity 0.7126 NPC201380
Intermediate Similarity 0.7126 NPC179787
Intermediate Similarity 0.7126 NPC469811
Intermediate Similarity 0.7121 NPC143977
Intermediate Similarity 0.7121 NPC472069
Intermediate Similarity 0.7121 NPC472063
Intermediate Similarity 0.7121 NPC472062
Intermediate Similarity 0.7118 NPC73767
Intermediate Similarity 0.7112 NPC234403
Intermediate Similarity 0.7111 NPC478185
Intermediate Similarity 0.711 NPC159856
Intermediate Similarity 0.7105 NPC118084
Intermediate Similarity 0.71 NPC472064
Intermediate Similarity 0.7097 NPC145885
Intermediate Similarity 0.7097 NPC84827
Intermediate Similarity 0.7097 NPC14113
Intermediate Similarity 0.7093 NPC136002
Intermediate Similarity 0.7088 NPC478183
Intermediate Similarity 0.7087 NPC267811
Intermediate Similarity 0.7081 NPC110500
Intermediate Similarity 0.7081 NPC149155
Intermediate Similarity 0.7081 NPC203468
Intermediate Similarity 0.7077 NPC472293
Intermediate Similarity 0.7076 NPC469783
Intermediate Similarity 0.7076 NPC469761
Intermediate Similarity 0.7076 NPC469768
Intermediate Similarity 0.7076 NPC469767
Intermediate Similarity 0.7076 NPC469779
Intermediate Similarity 0.7076 NPC469784
Intermediate Similarity 0.7076 NPC469780
Intermediate Similarity 0.7069 NPC63545
Intermediate Similarity 0.7069 NPC143872
Intermediate Similarity 0.7059 NPC473218
Intermediate Similarity 0.7059 NPC153980
Intermediate Similarity 0.7059 NPC126709
Intermediate Similarity 0.7059 NPC470702
Intermediate Similarity 0.7059 NPC6865
Intermediate Similarity 0.7059 NPC248041
Intermediate Similarity 0.7056 NPC74413
Intermediate Similarity 0.7055 NPC166424
Intermediate Similarity 0.7055 NPC146373
Intermediate Similarity 0.7055 NPC245244
Intermediate Similarity 0.7053 NPC282103
Intermediate Similarity 0.7045 NPC24678
Intermediate Similarity 0.7045 NPC105818
Intermediate Similarity 0.7041 NPC78767
Intermediate Similarity 0.7041 NPC473814
Intermediate Similarity 0.7039 NPC76982
Intermediate Similarity 0.7035 NPC469766
Intermediate Similarity 0.703 NPC266249
Intermediate Similarity 0.7029 NPC471957
Intermediate Similarity 0.7026 NPC195239
Intermediate Similarity 0.7026 NPC157828
Intermediate Similarity 0.7024 NPC470703
Intermediate Similarity 0.7021 NPC88110
Intermediate Similarity 0.702 NPC252338
Intermediate Similarity 0.7017 NPC282231
Intermediate Similarity 0.7016 NPC62749
Intermediate Similarity 0.7011 NPC32534
Intermediate Similarity 0.7011 NPC91895
Intermediate Similarity 0.701 NPC472292
Intermediate Similarity 0.701 NPC72956
Intermediate Similarity 0.7006 NPC82295
Intermediate Similarity 0.7006 NPC470233
Intermediate Similarity 0.7005 NPC111275
Intermediate Similarity 0.7005 NPC474916
Remote Similarity 0.6995 NPC268966
Remote Similarity 0.6995 NPC83111
Remote Similarity 0.699 NPC11445
Remote Similarity 0.6979 NPC477415
Remote Similarity 0.6979 NPC17059
Remote Similarity 0.6979 NPC23476
Remote Similarity 0.6979 NPC474259
Remote Similarity 0.6978 NPC317105
Remote Similarity 0.6977 NPC279081
Remote Similarity 0.6976 NPC471194
Remote Similarity 0.6976 NPC471193
Remote Similarity 0.6971 NPC288838
Remote Similarity 0.697 NPC474767
Remote Similarity 0.697 NPC472297
Remote Similarity 0.697 NPC472296
Remote Similarity 0.6968 NPC283219
Remote Similarity 0.6968 NPC12649
Remote Similarity 0.6968 NPC213468
Remote Similarity 0.6966 NPC281094

Drug Structure

External Identifiers

TTD   DIB014501
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   146826
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  241.12
ALogP  -0.6943
MLogP  2.56
XLogP  2.188
HDA  4
HBD  1
Rotatable Bonds  3
TPSA  46.4
RO5 Violation  0