Drug Information

Drug ID:  NPD3555
Drug Name:  Dilevalol
Molecular Formula:  C19H24N2O3
Canonical SMILES:  C[C@H](CCc1ccccc1)NC[C@@H](c1ccc(c(c1)C(=N)O)O)O
Standard InCHI:  InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)/t13-,18+/m1/s1
Standard InCHIKey:  SGUAFYQXFOLMHL-ACJLOTCBSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3555

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 0.8359 NPC213
Intermediate Similarity 0.8359 NPC10286
Intermediate Similarity 0.8346 NPC307020
Intermediate Similarity 0.7986 NPC168861
Intermediate Similarity 0.7972 NPC214988
Intermediate Similarity 0.7899 NPC322366
Intermediate Similarity 0.7891 NPC145638
Intermediate Similarity 0.7891 NPC290566
Intermediate Similarity 0.7836 NPC283760
Intermediate Similarity 0.7826 NPC29477
Intermediate Similarity 0.7744 NPC82963
Intermediate Similarity 0.7714 NPC477839
Intermediate Similarity 0.7692 NPC267237
Intermediate Similarity 0.7687 NPC137096
Intermediate Similarity 0.7687 NPC311737
Intermediate Similarity 0.7687 NPC38458
Intermediate Similarity 0.7674 NPC153690
Intermediate Similarity 0.7643 NPC236347
Intermediate Similarity 0.7643 NPC323775
Intermediate Similarity 0.7626 NPC95733
Intermediate Similarity 0.7626 NPC62101
Intermediate Similarity 0.7622 NPC208757
Intermediate Similarity 0.7594 NPC118202
Intermediate Similarity 0.7586 NPC64205
Intermediate Similarity 0.7568 NPC326241
Intermediate Similarity 0.7552 NPC326966
Intermediate Similarity 0.7538 NPC24101
Intermediate Similarity 0.7538 NPC96224
Intermediate Similarity 0.7537 NPC317254
Intermediate Similarity 0.7535 NPC325651
Intermediate Similarity 0.75 NPC226778
Intermediate Similarity 0.75 NPC304761
Intermediate Similarity 0.75 NPC247018
Intermediate Similarity 0.75 NPC307123
Intermediate Similarity 0.75 NPC150254
Intermediate Similarity 0.75 NPC147000
Intermediate Similarity 0.75 NPC97870
Intermediate Similarity 0.7445 NPC43275
Intermediate Similarity 0.7442 NPC211551
Intermediate Similarity 0.7432 NPC197921
Intermediate Similarity 0.7429 NPC211218
Intermediate Similarity 0.7424 NPC475018
Intermediate Similarity 0.7424 NPC474149
Intermediate Similarity 0.7413 NPC271808
Intermediate Similarity 0.741 NPC474862
Intermediate Similarity 0.7405 NPC63698
Intermediate Similarity 0.7405 NPC61885
Intermediate Similarity 0.7385 NPC231705
Intermediate Similarity 0.7383 NPC91953
Intermediate Similarity 0.7383 NPC469360
Intermediate Similarity 0.7358 NPC22014
Intermediate Similarity 0.7348 NPC258056
Intermediate Similarity 0.7346 NPC195392
Intermediate Similarity 0.7344 NPC327226
Intermediate Similarity 0.7333 NPC473137
Intermediate Similarity 0.7333 NPC12656
Intermediate Similarity 0.7328 NPC142297
Intermediate Similarity 0.7297 NPC473055
Intermediate Similarity 0.7297 NPC473052
Intermediate Similarity 0.7273 NPC476353
Intermediate Similarity 0.7273 NPC262365
Intermediate Similarity 0.7267 NPC212850
Intermediate Similarity 0.7267 NPC83289
Intermediate Similarity 0.7267 NPC477837
Intermediate Similarity 0.7267 NPC189724
Intermediate Similarity 0.7267 NPC477838
Intermediate Similarity 0.7266 NPC169207
Intermediate Similarity 0.7266 NPC213730
Intermediate Similarity 0.7266 NPC223451
Intermediate Similarity 0.7266 NPC115627
Intermediate Similarity 0.7266 NPC118522
Intermediate Similarity 0.726 NPC149379
Intermediate Similarity 0.7248 NPC322526
Intermediate Similarity 0.7246 NPC5932
Intermediate Similarity 0.7244 NPC476742
Intermediate Similarity 0.7239 NPC4493
Intermediate Similarity 0.7239 NPC165770
Intermediate Similarity 0.7239 NPC225679
Intermediate Similarity 0.7239 NPC476632
Intermediate Similarity 0.7218 NPC65855
Intermediate Similarity 0.7218 NPC292758
Intermediate Similarity 0.7214 NPC284078
Intermediate Similarity 0.7209 NPC7686
Intermediate Similarity 0.7209 NPC40258
Intermediate Similarity 0.7209 NPC91461
Intermediate Similarity 0.7208 NPC245974
Intermediate Similarity 0.7203 NPC141739
Intermediate Similarity 0.7203 NPC136112
Intermediate Similarity 0.7203 NPC320242
Intermediate Similarity 0.72 NPC476989
Intermediate Similarity 0.7197 NPC476741
Intermediate Similarity 0.7188 NPC78119
Intermediate Similarity 0.7188 NPC51333
Intermediate Similarity 0.7188 NPC132078
Intermediate Similarity 0.7188 NPC128723
Intermediate Similarity 0.7188 NPC125732
Intermediate Similarity 0.7188 NPC216468
Intermediate Similarity 0.7188 NPC79328
Intermediate Similarity 0.7185 NPC43525
Intermediate Similarity 0.7178 NPC209377
Intermediate Similarity 0.7176 NPC233396
Intermediate Similarity 0.7176 NPC474839
Intermediate Similarity 0.7176 NPC154899
Intermediate Similarity 0.717 NPC244336
Intermediate Similarity 0.7164 NPC44732
Intermediate Similarity 0.7161 NPC473491
Intermediate Similarity 0.7161 NPC476743
Intermediate Similarity 0.7154 NPC178902
Intermediate Similarity 0.7134 NPC56887
Intermediate Similarity 0.7134 NPC223077
Intermediate Similarity 0.7134 NPC193853
Intermediate Similarity 0.7133 NPC14600
Intermediate Similarity 0.7133 NPC41473
Intermediate Similarity 0.7133 NPC204848
Intermediate Similarity 0.7133 NPC318591
Intermediate Similarity 0.7133 NPC160607
Intermediate Similarity 0.7133 NPC231163
Intermediate Similarity 0.7133 NPC312770
Intermediate Similarity 0.7132 NPC117846
Intermediate Similarity 0.7132 NPC289381
Intermediate Similarity 0.7132 NPC155847
Intermediate Similarity 0.7132 NPC214200
Intermediate Similarity 0.7132 NPC228400
Intermediate Similarity 0.7122 NPC85276
Intermediate Similarity 0.7121 NPC135464
Intermediate Similarity 0.7121 NPC92623
Intermediate Similarity 0.7115 NPC476744
Intermediate Similarity 0.7111 NPC308689
Intermediate Similarity 0.7109 NPC290515
Intermediate Similarity 0.7109 NPC303611
Intermediate Similarity 0.7109 NPC226096
Intermediate Similarity 0.7109 NPC315921
Intermediate Similarity 0.7109 NPC164514
Intermediate Similarity 0.7109 NPC108606
Intermediate Similarity 0.7105 NPC204546
Intermediate Similarity 0.7099 NPC63931
Intermediate Similarity 0.7099 NPC119860
Intermediate Similarity 0.7089 NPC476268
Intermediate Similarity 0.7086 NPC170170
Intermediate Similarity 0.7086 NPC211468
Intermediate Similarity 0.7086 NPC219233
Intermediate Similarity 0.7083 NPC318965
Intermediate Similarity 0.708 NPC107240
Intermediate Similarity 0.7078 NPC247298
Intermediate Similarity 0.7075 NPC45191
Intermediate Similarity 0.7073 NPC280022
Intermediate Similarity 0.7071 NPC268572
Intermediate Similarity 0.7059 NPC228425
Intermediate Similarity 0.7059 NPC266741
Intermediate Similarity 0.705 NPC283468
Intermediate Similarity 0.7045 NPC138942
Intermediate Similarity 0.7045 NPC219286
Intermediate Similarity 0.7045 NPC99557
Intermediate Similarity 0.7042 NPC27581
Intermediate Similarity 0.7039 NPC323123
Intermediate Similarity 0.7032 NPC313414
Intermediate Similarity 0.703 NPC46009
Intermediate Similarity 0.7027 NPC328070
Intermediate Similarity 0.7027 NPC471953
Intermediate Similarity 0.7027 NPC244866
Intermediate Similarity 0.7023 NPC168829
Intermediate Similarity 0.7021 NPC263835
Intermediate Similarity 0.702 NPC471201
Intermediate Similarity 0.702 NPC48202
Intermediate Similarity 0.7019 NPC37205
Intermediate Similarity 0.7019 NPC29647
Intermediate Similarity 0.7019 NPC469243
Intermediate Similarity 0.7019 NPC160931
Intermediate Similarity 0.7013 NPC81026
Intermediate Similarity 0.7007 NPC126859
Intermediate Similarity 0.7007 NPC89769
Intermediate Similarity 0.7007 NPC259665
Intermediate Similarity 0.7 NPC122009
Intermediate Similarity 0.7 NPC131118
Intermediate Similarity 0.7 NPC233926
Intermediate Similarity 0.7 NPC237227
Remote Similarity 0.6986 NPC17374
Remote Similarity 0.6986 NPC8305
Remote Similarity 0.6986 NPC268763
Remote Similarity 0.6986 NPC66177
Remote Similarity 0.6986 NPC296712
Remote Similarity 0.6985 NPC227553
Remote Similarity 0.6981 NPC244509
Remote Similarity 0.6978 NPC281686
Remote Similarity 0.6978 NPC106551
Remote Similarity 0.6978 NPC188867
Remote Similarity 0.6977 NPC107619
Remote Similarity 0.6975 NPC206736
Remote Similarity 0.6975 NPC195766
Remote Similarity 0.6974 NPC299583
Remote Similarity 0.6974 NPC150712
Remote Similarity 0.6972 NPC86966
Remote Similarity 0.697 NPC288411
Remote Similarity 0.6968 NPC119569
Remote Similarity 0.6968 NPC16188
Remote Similarity 0.6959 NPC257390
Remote Similarity 0.6959 NPC473724
Remote Similarity 0.6953 NPC313650
Remote Similarity 0.6953 NPC26244
Remote Similarity 0.695 NPC151197

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  328.18
ALogP  -1.6861
MLogP  3
XLogP  5.253
HDA  4
HBD  5
Rotatable Bonds  12
TPSA  96.57
RO5 Violation  1