Drug Information

Drug ID:  NPD3003
Drug Name:  carazolol
Molecular Formula:  C18H22N2O2
Canonical SMILES:  OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C
Standard InCHI:  InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
Standard InCHIKey:  BQXQGZPYHWWCEB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD3003

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 0.8737 NPC471080
High Similarity 0.8737 NPC469592
High Similarity 0.8667 NPC476106
High Similarity 0.8594 NPC72211
High Similarity 0.8564 NPC469594
High Similarity 0.8542 NPC70956
High Similarity 0.8542 NPC243834
High Similarity 0.8513 NPC475112
High Similarity 0.8513 NPC475085
High Similarity 0.8513 NPC291535
Intermediate Similarity 0.849 NPC70259
Intermediate Similarity 0.8469 NPC162484
Intermediate Similarity 0.8449 NPC84478
Intermediate Similarity 0.8438 NPC205934
Intermediate Similarity 0.8438 NPC43787
Intermediate Similarity 0.8394 NPC13880
Intermediate Similarity 0.8392 NPC475910
Intermediate Similarity 0.8342 NPC131017
Intermediate Similarity 0.8325 NPC199277
Intermediate Similarity 0.8325 NPC135887
Intermediate Similarity 0.8316 NPC329747
Intermediate Similarity 0.8259 NPC469589
Intermediate Similarity 0.825 NPC193777
Intermediate Similarity 0.8227 NPC48353
Intermediate Similarity 0.8218 NPC11464
Intermediate Similarity 0.8216 NPC474409
Intermediate Similarity 0.8205 NPC251090
Intermediate Similarity 0.8201 NPC176127
Intermediate Similarity 0.8196 NPC307963
Intermediate Similarity 0.8195 NPC170114
Intermediate Similarity 0.8182 NPC267423
Intermediate Similarity 0.8182 NPC476044
Intermediate Similarity 0.8168 NPC201697
Intermediate Similarity 0.8152 NPC110151
Intermediate Similarity 0.815 NPC470930
Intermediate Similarity 0.815 NPC285558
Intermediate Similarity 0.8146 NPC470549
Intermediate Similarity 0.8137 NPC316981
Intermediate Similarity 0.8107 NPC152768
Intermediate Similarity 0.8107 NPC148183
Intermediate Similarity 0.8098 NPC266931
Intermediate Similarity 0.8086 NPC477532
Intermediate Similarity 0.8081 NPC128823
Intermediate Similarity 0.8079 NPC209769
Intermediate Similarity 0.8066 NPC473185
Intermediate Similarity 0.8041 NPC76748
Intermediate Similarity 0.804 NPC121772
Intermediate Similarity 0.8038 NPC477533
Intermediate Similarity 0.8037 NPC475253
Intermediate Similarity 0.8029 NPC303658
Intermediate Similarity 0.8021 NPC94943
Intermediate Similarity 0.8019 NPC288349
Intermediate Similarity 0.8018 NPC473183
Intermediate Similarity 0.801 NPC279401
Intermediate Similarity 0.801 NPC79293
Intermediate Similarity 0.801 NPC478074
Intermediate Similarity 0.8 NPC232727
Intermediate Similarity 0.8 NPC92111
Intermediate Similarity 0.8 NPC310118
Intermediate Similarity 0.799 NPC296527
Intermediate Similarity 0.799 NPC473179
Intermediate Similarity 0.7969 NPC190007
Intermediate Similarity 0.7952 NPC132642
Intermediate Similarity 0.795 NPC329793
Intermediate Similarity 0.7947 NPC72980
Intermediate Similarity 0.7936 NPC184680
Intermediate Similarity 0.7926 NPC473184
Intermediate Similarity 0.7921 NPC223427
Intermediate Similarity 0.7919 NPC106937
Intermediate Similarity 0.7917 NPC212535
Intermediate Similarity 0.7905 NPC193267
Intermediate Similarity 0.7905 NPC213530
Intermediate Similarity 0.79 NPC470784
Intermediate Similarity 0.79 NPC470785
Intermediate Similarity 0.7897 NPC242928
Intermediate Similarity 0.7877 NPC280272
Intermediate Similarity 0.7874 NPC94157
Intermediate Similarity 0.7864 NPC167860
Intermediate Similarity 0.7864 NPC123976
Intermediate Similarity 0.7861 NPC19872
Intermediate Similarity 0.786 NPC252251
Intermediate Similarity 0.7846 NPC46580
Intermediate Similarity 0.7843 NPC472111
Intermediate Similarity 0.783 NPC198503
Intermediate Similarity 0.7801 NPC283152
Intermediate Similarity 0.78 NPC153042
Intermediate Similarity 0.7798 NPC473182
Intermediate Similarity 0.7788 NPC477531
Intermediate Similarity 0.7783 NPC150239
Intermediate Similarity 0.7778 NPC471304
Intermediate Similarity 0.7773 NPC473041
Intermediate Similarity 0.7772 NPC474798
Intermediate Similarity 0.7772 NPC249040
Intermediate Similarity 0.7772 NPC176538
Intermediate Similarity 0.775 NPC242209
Intermediate Similarity 0.7742 NPC209174
Intermediate Similarity 0.7739 NPC475190
Intermediate Similarity 0.7732 NPC472444
Intermediate Similarity 0.7725 NPC305984
Intermediate Similarity 0.7718 NPC249583
Intermediate Similarity 0.7703 NPC26679
Intermediate Similarity 0.7703 NPC310211
Intermediate Similarity 0.7703 NPC308137
Intermediate Similarity 0.7696 NPC194740
Intermediate Similarity 0.7692 NPC5145
Intermediate Similarity 0.7689 NPC247803
Intermediate Similarity 0.7688 NPC99666
Intermediate Similarity 0.7681 NPC470931
Intermediate Similarity 0.768 NPC314394
Intermediate Similarity 0.7676 NPC26850
Intermediate Similarity 0.7668 NPC472443
Intermediate Similarity 0.7664 NPC60621
Intermediate Similarity 0.7656 NPC87413
Intermediate Similarity 0.7656 NPC208284
Intermediate Similarity 0.7639 NPC21638
Intermediate Similarity 0.7636 NPC473105
Intermediate Similarity 0.7635 NPC18487
Intermediate Similarity 0.7633 NPC4687
Intermediate Similarity 0.7626 NPC246700
Intermediate Similarity 0.7626 NPC128751
Intermediate Similarity 0.7619 NPC473180
Intermediate Similarity 0.7617 NPC128115
Intermediate Similarity 0.7615 NPC314954
Intermediate Similarity 0.7609 NPC26872
Intermediate Similarity 0.7606 NPC96321
Intermediate Similarity 0.7606 NPC46561
Intermediate Similarity 0.7602 NPC277351
Intermediate Similarity 0.7598 NPC11017
Intermediate Similarity 0.7598 NPC315957
Intermediate Similarity 0.7591 NPC474192
Intermediate Similarity 0.7591 NPC469554
Intermediate Similarity 0.7591 NPC475720
Intermediate Similarity 0.7588 NPC469497
Intermediate Similarity 0.7588 NPC106833
Intermediate Similarity 0.7586 NPC306376
Intermediate Similarity 0.7577 NPC88363
Intermediate Similarity 0.7573 NPC475774
Intermediate Similarity 0.7573 NPC476138
Intermediate Similarity 0.7573 NPC245816
Intermediate Similarity 0.7563 NPC314002
Intermediate Similarity 0.756 NPC185782
Intermediate Similarity 0.7559 NPC169402
Intermediate Similarity 0.7557 NPC180504
Intermediate Similarity 0.7553 NPC177404
Intermediate Similarity 0.7549 NPC32200
Intermediate Similarity 0.7547 NPC116238
Intermediate Similarity 0.7536 NPC203168
Intermediate Similarity 0.7535 NPC174760
Intermediate Similarity 0.7534 NPC6786
Intermediate Similarity 0.7526 NPC96890
Intermediate Similarity 0.7525 NPC171171
Intermediate Similarity 0.7524 NPC199667
Intermediate Similarity 0.7524 NPC219664
Intermediate Similarity 0.7513 NPC204717
Intermediate Similarity 0.7513 NPC472586
Intermediate Similarity 0.7513 NPC62069
Intermediate Similarity 0.7512 NPC183407
Intermediate Similarity 0.7512 NPC8022
Intermediate Similarity 0.7512 NPC476465
Intermediate Similarity 0.7512 NPC470799
Intermediate Similarity 0.7512 NPC74969
Intermediate Similarity 0.75 NPC45190
Intermediate Similarity 0.75 NPC280799
Intermediate Similarity 0.75 NPC476287
Intermediate Similarity 0.7489 NPC473187
Intermediate Similarity 0.7489 NPC78609
Intermediate Similarity 0.7489 NPC284141
Intermediate Similarity 0.7488 NPC208084
Intermediate Similarity 0.7487 NPC270009
Intermediate Similarity 0.7477 NPC179287
Intermediate Similarity 0.7477 NPC314552
Intermediate Similarity 0.7476 NPC473181
Intermediate Similarity 0.7476 NPC174672
Intermediate Similarity 0.7474 NPC288943
Intermediate Similarity 0.7462 NPC469358
Intermediate Similarity 0.7462 NPC220765
Intermediate Similarity 0.7461 NPC34508
Intermediate Similarity 0.7454 NPC86078
Intermediate Similarity 0.7454 NPC472099
Intermediate Similarity 0.7453 NPC264176
Intermediate Similarity 0.7452 NPC470500
Intermediate Similarity 0.7451 NPC77555
Intermediate Similarity 0.7451 NPC267928
Intermediate Similarity 0.7443 NPC24370
Intermediate Similarity 0.7443 NPC319232
Intermediate Similarity 0.7443 NPC227908
Intermediate Similarity 0.7443 NPC202503
Intermediate Similarity 0.744 NPC295898
Intermediate Similarity 0.7438 NPC326634
Intermediate Similarity 0.7437 NPC204385
Intermediate Similarity 0.7434 NPC217554
Intermediate Similarity 0.7433 NPC141353
Intermediate Similarity 0.743 NPC330009
Intermediate Similarity 0.7429 NPC39679
Intermediate Similarity 0.7423 NPC329688
Intermediate Similarity 0.7423 NPC189812
Intermediate Similarity 0.7423 NPC312872
Intermediate Similarity 0.7422 NPC11408
Intermediate Similarity 0.7416 NPC300156
Intermediate Similarity 0.7411 NPC295228

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS   569
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  298.17
ALogP  -1.4302
MLogP  3
XLogP  3.248
HDA  3
HBD  3
Rotatable Bonds  9
TPSA  57.28
RO5 Violation  0