Drug Information

Drug ID:  NPD6249
Drug Name:  Belotecan
Molecular Formula:  C25H27N3O4
Canonical SMILES:  CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccccc4c(c3Cn1c2=O)CCNC(C)C
Standard InCHI:  InChI=1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1
Standard InCHIKey:  LNHWXBUNXOXMRL-VWLOTQADSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6249

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 0.9602 NPC129909
High Similarity 0.9556 NPC192674
High Similarity 0.927 NPC61435
High Similarity 0.9266 NPC311858
High Similarity 0.9153 NPC470003
High Similarity 0.887 NPC28848
High Similarity 0.887 NPC14325
High Similarity 0.8622 NPC74562
High Similarity 0.8622 NPC151781
High Similarity 0.8622 NPC316181
High Similarity 0.8513 NPC477548
Intermediate Similarity 0.8366 NPC128115
Intermediate Similarity 0.7806 NPC245916
Intermediate Similarity 0.7688 NPC65080
Intermediate Similarity 0.7598 NPC474905
Intermediate Similarity 0.7592 NPC24864
Intermediate Similarity 0.759 NPC175474
Intermediate Similarity 0.7576 NPC19692
Intermediate Similarity 0.7576 NPC220151
Intermediate Similarity 0.7571 NPC82070
Intermediate Similarity 0.7537 NPC476115
Intermediate Similarity 0.7512 NPC241024
Intermediate Similarity 0.75 NPC102338
Intermediate Similarity 0.75 NPC196251
Intermediate Similarity 0.75 NPC63199
Intermediate Similarity 0.75 NPC111602
Intermediate Similarity 0.7488 NPC123019
Intermediate Similarity 0.7487 NPC470509
Intermediate Similarity 0.7476 NPC476114
Intermediate Similarity 0.7475 NPC294909
Intermediate Similarity 0.7475 NPC254240
Intermediate Similarity 0.7475 NPC55493
Intermediate Similarity 0.7475 NPC128265
Intermediate Similarity 0.7475 NPC199851
Intermediate Similarity 0.7475 NPC312870
Intermediate Similarity 0.7463 NPC52557
Intermediate Similarity 0.7463 NPC277350
Intermediate Similarity 0.7453 NPC52254
Intermediate Similarity 0.7438 NPC471944
Intermediate Similarity 0.7436 NPC280290
Intermediate Similarity 0.7432 NPC471458
Intermediate Similarity 0.743 NPC470440
Intermediate Similarity 0.7423 NPC472110
Intermediate Similarity 0.7423 NPC472109
Intermediate Similarity 0.7409 NPC91179
Intermediate Similarity 0.7406 NPC174788
Intermediate Similarity 0.74 NPC57994
Intermediate Similarity 0.74 NPC289299
Intermediate Similarity 0.7395 NPC475271
Intermediate Similarity 0.7389 NPC249150
Intermediate Similarity 0.7389 NPC79129
Intermediate Similarity 0.7389 NPC49196
Intermediate Similarity 0.7389 NPC470497
Intermediate Similarity 0.7389 NPC195461
Intermediate Similarity 0.7389 NPC81654
Intermediate Similarity 0.7389 NPC313985
Intermediate Similarity 0.7387 NPC472113
Intermediate Similarity 0.7385 NPC228835
Intermediate Similarity 0.7377 NPC281094
Intermediate Similarity 0.7368 NPC470498
Intermediate Similarity 0.7363 NPC102592
Intermediate Similarity 0.7363 NPC79356
Intermediate Similarity 0.7358 NPC11126
Intermediate Similarity 0.7358 NPC270009
Intermediate Similarity 0.7351 NPC299594
Intermediate Similarity 0.7346 NPC477979
Intermediate Similarity 0.734 NPC32200
Intermediate Similarity 0.7337 NPC470507
Intermediate Similarity 0.7333 NPC472108
Intermediate Similarity 0.7333 NPC235900
Intermediate Similarity 0.7333 NPC139291
Intermediate Similarity 0.733 NPC161861
Intermediate Similarity 0.7323 NPC46413
Intermediate Similarity 0.7309 NPC470784
Intermediate Similarity 0.7309 NPC470785
Intermediate Similarity 0.7308 NPC37548
Intermediate Similarity 0.7306 NPC326575
Intermediate Similarity 0.7304 NPC214428
Intermediate Similarity 0.7291 NPC470499
Intermediate Similarity 0.7291 NPC50503
Intermediate Similarity 0.7291 NPC212213
Intermediate Similarity 0.7291 NPC239954
Intermediate Similarity 0.7286 NPC472112
Intermediate Similarity 0.7286 NPC314333
Intermediate Similarity 0.7273 NPC472323
Intermediate Similarity 0.7273 NPC473320
Intermediate Similarity 0.7269 NPC155444
Intermediate Similarity 0.7268 NPC300183
Intermediate Similarity 0.7265 NPC184680
Intermediate Similarity 0.7264 NPC471284
Intermediate Similarity 0.7259 NPC133003
Intermediate Similarity 0.7245 NPC472444
Intermediate Similarity 0.7245 NPC469358
Intermediate Similarity 0.7245 NPC470205
Intermediate Similarity 0.724 NPC89987
Intermediate Similarity 0.724 NPC472123
Intermediate Similarity 0.7222 NPC66210
Intermediate Similarity 0.7222 NPC2395
Intermediate Similarity 0.7208 NPC21429
Intermediate Similarity 0.7207 NPC323752
Intermediate Similarity 0.7207 NPC238499
Intermediate Similarity 0.7206 NPC168911
Intermediate Similarity 0.7196 NPC21174
Intermediate Similarity 0.7196 NPC271734
Intermediate Similarity 0.7196 NPC96131
Intermediate Similarity 0.7196 NPC312645
Intermediate Similarity 0.7196 NPC271797
Intermediate Similarity 0.7196 NPC8104
Intermediate Similarity 0.719 NPC478158
Intermediate Similarity 0.7188 NPC6982
Intermediate Similarity 0.7186 NPC17059
Intermediate Similarity 0.7184 NPC475506
Intermediate Similarity 0.7183 NPC478157
Intermediate Similarity 0.7179 NPC219336
Intermediate Similarity 0.7179 NPC472443
Intermediate Similarity 0.7176 NPC472099
Intermediate Similarity 0.7173 NPC317430
Intermediate Similarity 0.7172 NPC79062
Intermediate Similarity 0.7172 NPC472107
Intermediate Similarity 0.7165 NPC472122
Intermediate Similarity 0.7165 NPC24594
Intermediate Similarity 0.7163 NPC281049
Intermediate Similarity 0.7157 NPC472104
Intermediate Similarity 0.7151 NPC38736
Intermediate Similarity 0.715 NPC34508
Intermediate Similarity 0.715 NPC155143
Intermediate Similarity 0.7143 NPC15840
Intermediate Similarity 0.7143 NPC469896
Intermediate Similarity 0.7143 NPC194881
Intermediate Similarity 0.7136 NPC135601
Intermediate Similarity 0.7136 NPC141612
Intermediate Similarity 0.7136 NPC17273
Intermediate Similarity 0.7136 NPC478077
Intermediate Similarity 0.7136 NPC94752
Intermediate Similarity 0.713 NPC323198
Intermediate Similarity 0.7128 NPC15573
Intermediate Similarity 0.7128 NPC183662
Intermediate Similarity 0.7128 NPC217372
Intermediate Similarity 0.7123 NPC235885
Intermediate Similarity 0.7122 NPC473640
Intermediate Similarity 0.7121 NPC472119
Intermediate Similarity 0.7121 NPC258480
Intermediate Similarity 0.712 NPC187951
Intermediate Similarity 0.7114 NPC469501
Intermediate Similarity 0.7114 NPC329858
Intermediate Similarity 0.7114 NPC469470
Intermediate Similarity 0.7113 NPC189812
Intermediate Similarity 0.7113 NPC329688
Intermediate Similarity 0.711 NPC478141
Intermediate Similarity 0.7105 NPC478182
Intermediate Similarity 0.7105 NPC478184
Intermediate Similarity 0.7104 NPC56109
Intermediate Similarity 0.7104 NPC191382
Intermediate Similarity 0.7104 NPC478186
Intermediate Similarity 0.7097 NPC272174
Intermediate Similarity 0.7095 NPC225821
Intermediate Similarity 0.7095 NPC46225
Intermediate Similarity 0.7094 NPC198673
Intermediate Similarity 0.7092 NPC133261
Intermediate Similarity 0.7092 NPC176199
Intermediate Similarity 0.7092 NPC215795
Intermediate Similarity 0.7092 NPC12649
Intermediate Similarity 0.7091 NPC24370
Intermediate Similarity 0.7091 NPC319232
Intermediate Similarity 0.7089 NPC475778
Intermediate Similarity 0.7088 NPC242556
Intermediate Similarity 0.7087 NPC293917
Intermediate Similarity 0.7079 NPC472097
Intermediate Similarity 0.7079 NPC243716
Intermediate Similarity 0.7075 NPC234999
Intermediate Similarity 0.7073 NPC469736
Intermediate Similarity 0.707 NPC148183
Intermediate Similarity 0.707 NPC152768
Intermediate Similarity 0.7069 NPC14812
Intermediate Similarity 0.7067 NPC162730
Intermediate Similarity 0.7067 NPC272549
Intermediate Similarity 0.7067 NPC474116
Intermediate Similarity 0.7065 NPC213629
Intermediate Similarity 0.7065 NPC34271
Intermediate Similarity 0.7062 NPC258062
Intermediate Similarity 0.7062 NPC127677
Intermediate Similarity 0.7059 NPC294693
Intermediate Similarity 0.7059 NPC476491
Intermediate Similarity 0.7056 NPC187827
Intermediate Similarity 0.7056 NPC472105
Intermediate Similarity 0.7056 NPC89508
Intermediate Similarity 0.705 NPC235684
Intermediate Similarity 0.7044 NPC472292
Intermediate Similarity 0.7041 NPC68354
Intermediate Similarity 0.704 NPC14288
Intermediate Similarity 0.703 NPC324091
Intermediate Similarity 0.7026 NPC275305
Intermediate Similarity 0.7026 NPC37423
Intermediate Similarity 0.7024 NPC472293
Intermediate Similarity 0.702 NPC113626
Intermediate Similarity 0.7018 NPC61813
Intermediate Similarity 0.7016 NPC311276
Intermediate Similarity 0.7016 NPC40779
Intermediate Similarity 0.701 NPC81802
Intermediate Similarity 0.701 NPC472295

Drug Structure

External Identifiers

TTD   DNC000440
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   6918340
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  433.20
ALogP  -1.688
MLogP  3.44
XLogP  2.677
HDA  7
HBD  2
Rotatable Bonds  9
TPSA  91.76
RO5 Violation  0