Drug Information

Drug ID:  NPD6875
Drug Name:  Ivabradine Hydrochloride
Molecular Formula:  C27H36N2O5.ClH
Canonical SMILES:  COc1cc2C[C@@H](c2cc1OC)CN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C.Cl
Standard InCHI:  InChI=1S/C27H36N2O5.ClH/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;/h12-14,16,21H,6-11,15,17H2,1-5H3;1H/t21-;/m1./s1
Standard InCHIKey:  HLUKNZUABFFNQS-ZMBIFBSDSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6875

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 0.8153 NPC119669
Intermediate Similarity 0.8067 NPC42793
Intermediate Similarity 0.8067 NPC167944
Intermediate Similarity 0.8067 NPC231884
Intermediate Similarity 0.7975 NPC153631
Intermediate Similarity 0.7844 NPC473748
Intermediate Similarity 0.7805 NPC135006
Intermediate Similarity 0.7778 NPC225745
Intermediate Similarity 0.7764 NPC58661
Intermediate Similarity 0.775 NPC478189
Intermediate Similarity 0.7742 NPC328750
Intermediate Similarity 0.7742 NPC213206
Intermediate Similarity 0.7742 NPC188163
Intermediate Similarity 0.7742 NPC474915
Intermediate Similarity 0.7742 NPC323204
Intermediate Similarity 0.7738 NPC86469
Intermediate Similarity 0.7719 NPC222524
Intermediate Similarity 0.7716 NPC470708
Intermediate Similarity 0.7697 NPC475780
Intermediate Similarity 0.7677 NPC314682
Intermediate Similarity 0.7667 NPC160193
Intermediate Similarity 0.7662 NPC194359
Intermediate Similarity 0.7662 NPC28641
Intermediate Similarity 0.7651 NPC172403
Intermediate Similarity 0.7647 NPC11147
Intermediate Similarity 0.7647 NPC303581
Intermediate Similarity 0.7647 NPC67978
Intermediate Similarity 0.7647 NPC180647
Intermediate Similarity 0.7643 NPC136860
Intermediate Similarity 0.7643 NPC476567
Intermediate Similarity 0.7643 NPC128019
Intermediate Similarity 0.7588 NPC164608
Intermediate Similarity 0.7558 NPC308267
Intermediate Similarity 0.7544 NPC227683
Intermediate Similarity 0.7516 NPC266425
Intermediate Similarity 0.7516 NPC7467
Intermediate Similarity 0.7484 NPC95485
Intermediate Similarity 0.7484 NPC89504
Intermediate Similarity 0.7484 NPC88065
Intermediate Similarity 0.7471 NPC284842
Intermediate Similarity 0.7469 NPC470088
Intermediate Similarity 0.7468 NPC908
Intermediate Similarity 0.7468 NPC138438
Intermediate Similarity 0.7455 NPC80129
Intermediate Similarity 0.7455 NPC187022
Intermediate Similarity 0.7453 NPC51957
Intermediate Similarity 0.7453 NPC106295
Intermediate Similarity 0.7453 NPC210437
Intermediate Similarity 0.7453 NPC476144
Intermediate Similarity 0.7453 NPC16107
Intermediate Similarity 0.7451 NPC118419
Intermediate Similarity 0.7443 NPC102760
Intermediate Similarity 0.7438 NPC185838
Intermediate Similarity 0.7416 NPC477259
Intermediate Similarity 0.7416 NPC169387
Intermediate Similarity 0.7414 NPC32064
Intermediate Similarity 0.7414 NPC35680
Intermediate Similarity 0.7407 NPC135538
Intermediate Similarity 0.7407 NPC475959
Intermediate Similarity 0.7407 NPC24233
Intermediate Similarity 0.7407 NPC147390
Intermediate Similarity 0.7407 NPC428
Intermediate Similarity 0.7407 NPC476571
Intermediate Similarity 0.7407 NPC246587
Intermediate Similarity 0.7401 NPC116007
Intermediate Similarity 0.7396 NPC476569
Intermediate Similarity 0.7391 NPC473934
Intermediate Similarity 0.7389 NPC231572
Intermediate Similarity 0.7386 NPC476570
Intermediate Similarity 0.7378 NPC8337
Intermediate Similarity 0.7378 NPC85747
Intermediate Similarity 0.7374 NPC208890
Intermediate Similarity 0.7371 NPC121400
Intermediate Similarity 0.7363 NPC470646
Intermediate Similarity 0.7361 NPC475815
Intermediate Similarity 0.7361 NPC473264
Intermediate Similarity 0.7349 NPC169742
Intermediate Similarity 0.7346 NPC476151
Intermediate Similarity 0.7346 NPC191376
Intermediate Similarity 0.7346 NPC321505
Intermediate Similarity 0.7346 NPC179825
Intermediate Similarity 0.7345 NPC138083
Intermediate Similarity 0.7345 NPC229234
Intermediate Similarity 0.7338 NPC318862
Intermediate Similarity 0.7333 NPC30216
Intermediate Similarity 0.7329 NPC469978
Intermediate Similarity 0.7329 NPC145304
Intermediate Similarity 0.7325 NPC220923
Intermediate Similarity 0.7325 NPC471182
Intermediate Similarity 0.7325 NPC470707
Intermediate Similarity 0.7325 NPC252107
Intermediate Similarity 0.7321 NPC216816
Intermediate Similarity 0.7318 NPC124626
Intermediate Similarity 0.7317 NPC97221
Intermediate Similarity 0.7317 NPC192768
Intermediate Similarity 0.7317 NPC151895
Intermediate Similarity 0.7317 NPC88249
Intermediate Similarity 0.7317 NPC220858
Intermediate Similarity 0.7315 NPC298486
Intermediate Similarity 0.7305 NPC247639
Intermediate Similarity 0.7305 NPC25084
Intermediate Similarity 0.7303 NPC223807
Intermediate Similarity 0.7301 NPC153644
Intermediate Similarity 0.7301 NPC130941
Intermediate Similarity 0.729 NPC160692
Intermediate Similarity 0.7288 NPC298339
Intermediate Similarity 0.7284 NPC290404
Intermediate Similarity 0.7283 NPC71124
Intermediate Similarity 0.7273 NPC476568
Intermediate Similarity 0.7273 NPC476579
Intermediate Similarity 0.7261 NPC301050
Intermediate Similarity 0.7261 NPC131204
Intermediate Similarity 0.7261 NPC7018
Intermediate Similarity 0.7261 NPC99078
Intermediate Similarity 0.7256 NPC477565
Intermediate Similarity 0.7256 NPC103379
Intermediate Similarity 0.7256 NPC211296
Intermediate Similarity 0.7256 NPC219162
Intermediate Similarity 0.7256 NPC469540
Intermediate Similarity 0.7256 NPC469539
Intermediate Similarity 0.7256 NPC92541
Intermediate Similarity 0.7255 NPC283079
Intermediate Similarity 0.7251 NPC231198
Intermediate Similarity 0.7237 NPC301713
Intermediate Similarity 0.7233 NPC470962
Intermediate Similarity 0.7232 NPC27887
Intermediate Similarity 0.7229 NPC210148
Intermediate Similarity 0.7229 NPC233029
Intermediate Similarity 0.7225 NPC241055
Intermediate Similarity 0.7222 NPC130926
Intermediate Similarity 0.7222 NPC165106
Intermediate Similarity 0.7215 NPC253429
Intermediate Similarity 0.7215 NPC248505
Intermediate Similarity 0.7215 NPC193528
Intermediate Similarity 0.7215 NPC95366
Intermediate Similarity 0.7207 NPC276120
Intermediate Similarity 0.7207 NPC83511
Intermediate Similarity 0.7202 NPC146288
Intermediate Similarity 0.7202 NPC57512
Intermediate Similarity 0.7197 NPC230698
Intermediate Similarity 0.7197 NPC205178
Intermediate Similarity 0.7197 NPC73883
Intermediate Similarity 0.7197 NPC277042
Intermediate Similarity 0.7197 NPC196609
Intermediate Similarity 0.7197 NPC251454
Intermediate Similarity 0.7197 NPC136330
Intermediate Similarity 0.7197 NPC255817
Intermediate Similarity 0.7192 NPC81067
Intermediate Similarity 0.7192 NPC9341
Intermediate Similarity 0.7191 NPC115906
Intermediate Similarity 0.7182 NPC64140
Intermediate Similarity 0.7182 NPC174122
Intermediate Similarity 0.7174 NPC477258
Intermediate Similarity 0.7171 NPC53305
Intermediate Similarity 0.7171 NPC257589
Intermediate Similarity 0.717 NPC210086
Intermediate Similarity 0.7169 NPC326316
Intermediate Similarity 0.7169 NPC81733
Intermediate Similarity 0.7167 NPC18306
Intermediate Similarity 0.716 NPC229218
Intermediate Similarity 0.716 NPC137920
Intermediate Similarity 0.716 NPC129603
Intermediate Similarity 0.716 NPC125134
Intermediate Similarity 0.716 NPC192597
Intermediate Similarity 0.716 NPC169214
Intermediate Similarity 0.716 NPC86455
Intermediate Similarity 0.716 NPC176030
Intermediate Similarity 0.716 NPC141817
Intermediate Similarity 0.7159 NPC207721
Intermediate Similarity 0.7152 NPC60538
Intermediate Similarity 0.7152 NPC470887
Intermediate Similarity 0.7152 NPC137172
Intermediate Similarity 0.7152 NPC145446
Intermediate Similarity 0.7152 NPC106606
Intermediate Similarity 0.7152 NPC207824
Intermediate Similarity 0.7152 NPC474691
Intermediate Similarity 0.7151 NPC284183
Intermediate Similarity 0.7151 NPC4138
Intermediate Similarity 0.7151 NPC121275
Intermediate Similarity 0.7143 NPC216459
Intermediate Similarity 0.7143 NPC41178
Intermediate Similarity 0.7143 NPC207757
Intermediate Similarity 0.7143 NPC127674
Intermediate Similarity 0.7143 NPC138487
Intermediate Similarity 0.7143 NPC193949
Intermediate Similarity 0.7143 NPC295691
Intermediate Similarity 0.7143 NPC5238
Intermediate Similarity 0.7143 NPC325871
Intermediate Similarity 0.7143 NPC204828
Intermediate Similarity 0.7143 NPC249797
Intermediate Similarity 0.7143 NPC184026
Intermediate Similarity 0.7143 NPC276588
Intermediate Similarity 0.7143 NPC54379
Intermediate Similarity 0.7143 NPC172765
Intermediate Similarity 0.7143 NPC319320
Intermediate Similarity 0.7143 NPC278799
Intermediate Similarity 0.7143 NPC2413
Intermediate Similarity 0.7143 NPC39701
Intermediate Similarity 0.7143 NPC469817
Intermediate Similarity 0.7143 NPC287757

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  468.26
ALogP  -0.6626
MLogP  3.66
XLogP  2.573
HDA  3
HBD  0
Rotatable Bonds  15
TPSA  60.47
RO5 Violation  0