Drug Information

Drug ID:  NPD4448
Drug Name:  Clevidipine
Molecular Formula:  C21H23Cl2NO6
Canonical SMILES:  CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1Cl)Cl)C(=O)OC)C
Standard InCHI:  InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24-11(2)16(20(26)28-4)18(17)13-8-6-9-14(22)19(13)23/h6,8-9,18,24H,5,7,10H2,1-4H3
Standard InCHIKey:  KPBZROQVTHLCDU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD4448

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
Remote Similarity 0.6795 NPC190945
Remote Similarity 0.6386 NPC36836
Remote Similarity 0.6386 NPC63370
Remote Similarity 0.6312 NPC313981
Remote Similarity 0.6234 NPC473247
Remote Similarity 0.6225 NPC472165
Remote Similarity 0.6213 NPC473367
Remote Similarity 0.6184 NPC470818
Remote Similarity 0.6138 NPC472164
Remote Similarity 0.6107 NPC243059
Remote Similarity 0.6107 NPC280827
Remote Similarity 0.6081 NPC64340
Remote Similarity 0.6042 NPC474689
Remote Similarity 0.604 NPC476096
Remote Similarity 0.6027 NPC113099
Remote Similarity 0.6013 NPC76453
Remote Similarity 0.6 NPC474223
Remote Similarity 0.6 NPC475827
Remote Similarity 0.5987 NPC319995
Remote Similarity 0.5987 NPC475692
Remote Similarity 0.5987 NPC30390
Remote Similarity 0.5987 NPC289415
Remote Similarity 0.5987 NPC475478
Remote Similarity 0.5987 NPC17567
Remote Similarity 0.5985 NPC179411
Remote Similarity 0.5975 NPC470143
Remote Similarity 0.5975 NPC322503
Remote Similarity 0.5974 NPC9180
Remote Similarity 0.5974 NPC100402
Remote Similarity 0.5949 NPC475569
Remote Similarity 0.5948 NPC475691
Remote Similarity 0.5948 NPC473881
Remote Similarity 0.5944 NPC40178
Remote Similarity 0.5931 NPC270699
Remote Similarity 0.5931 NPC82899
Remote Similarity 0.5929 NPC291426
Remote Similarity 0.5918 NPC210092
Remote Similarity 0.5912 NPC270654
Remote Similarity 0.5906 NPC152812
Remote Similarity 0.5903 NPC214067
Remote Similarity 0.5903 NPC196246
Remote Similarity 0.5894 NPC474222
Remote Similarity 0.5894 NPC475804
Remote Similarity 0.589 NPC128368
Remote Similarity 0.5887 NPC324786
Remote Similarity 0.5886 NPC469519
Remote Similarity 0.5882 NPC140561
Remote Similarity 0.5882 NPC474159
Remote Similarity 0.5882 NPC141970
Remote Similarity 0.5882 NPC474254
Remote Similarity 0.5875 NPC136608
Remote Similarity 0.5875 NPC38420
Remote Similarity 0.5874 NPC20485
Remote Similarity 0.5874 NPC47536
Remote Similarity 0.5871 NPC470816
Remote Similarity 0.5862 NPC1082
Remote Similarity 0.5862 NPC323007
Remote Similarity 0.5862 NPC305912
Remote Similarity 0.5858 NPC472761
Remote Similarity 0.5857 NPC474112
Remote Similarity 0.5856 NPC6974
Remote Similarity 0.5852 NPC77273
Remote Similarity 0.5849 NPC471880
Remote Similarity 0.5839 NPC190298
Remote Similarity 0.5833 NPC17417
Remote Similarity 0.5833 NPC92283
Remote Similarity 0.5833 NPC35338
Remote Similarity 0.5833 NPC124878
Remote Similarity 0.5833 NPC182549
Remote Similarity 0.5833 NPC469636
Remote Similarity 0.5833 NPC231888
Remote Similarity 0.5833 NPC10121
Remote Similarity 0.5833 NPC290276
Remote Similarity 0.5833 NPC114741
Remote Similarity 0.5833 NPC10883
Remote Similarity 0.5833 NPC198918
Remote Similarity 0.5833 NPC204214
Remote Similarity 0.5833 NPC63404
Remote Similarity 0.5833 NPC96625
Remote Similarity 0.5833 NPC10251
Remote Similarity 0.5828 NPC470814
Remote Similarity 0.5827 NPC146351
Remote Similarity 0.5816 NPC474365
Remote Similarity 0.5816 NPC301943
Remote Similarity 0.5811 NPC29607
Remote Similarity 0.5809 NPC23453
Remote Similarity 0.5806 NPC87153
Remote Similarity 0.5806 NPC162925
Remote Similarity 0.5804 NPC477251
Remote Similarity 0.5797 NPC226041
Remote Similarity 0.5796 NPC231627
Remote Similarity 0.5793 NPC216122
Remote Similarity 0.5793 NPC93084
Remote Similarity 0.5793 NPC86087
Remote Similarity 0.5793 NPC251854
Remote Similarity 0.5783 NPC182475
Remote Similarity 0.5782 NPC477475
Remote Similarity 0.5782 NPC477476
Remote Similarity 0.578 NPC123241
Remote Similarity 0.5779 NPC474283
Remote Similarity 0.5776 NPC470441
Remote Similarity 0.5775 NPC31786
Remote Similarity 0.5769 NPC28069
Remote Similarity 0.5769 NPC77651
Remote Similarity 0.5766 NPC130398
Remote Similarity 0.5764 NPC56493
Remote Similarity 0.5759 NPC226101
Remote Similarity 0.5759 NPC237182
Remote Similarity 0.5759 NPC471024
Remote Similarity 0.5755 NPC145052
Remote Similarity 0.5755 NPC78701
Remote Similarity 0.5755 NPC35448
Remote Similarity 0.5755 NPC225060
Remote Similarity 0.5753 NPC210089
Remote Similarity 0.5753 NPC474157
Remote Similarity 0.5753 NPC167504
Remote Similarity 0.575 NPC475493
Remote Similarity 0.5743 NPC153053
Remote Similarity 0.5743 NPC307651
Remote Similarity 0.5742 NPC226794
Remote Similarity 0.5742 NPC469742
Remote Similarity 0.5742 NPC138798
Remote Similarity 0.5741 NPC473216
Remote Similarity 0.5741 NPC473399
Remote Similarity 0.5734 NPC474910
Remote Similarity 0.5734 NPC269457
Remote Similarity 0.5734 NPC209632
Remote Similarity 0.5732 NPC475195
Remote Similarity 0.5732 NPC473423
Remote Similarity 0.5724 NPC204784
Remote Similarity 0.5724 NPC281604
Remote Similarity 0.5723 NPC282294
Remote Similarity 0.5714 NPC160493
Remote Similarity 0.5714 NPC186669
Remote Similarity 0.5714 NPC7435
Remote Similarity 0.5714 NPC325497
Remote Similarity 0.5714 NPC221825
Remote Similarity 0.5714 NPC280789
Remote Similarity 0.5714 NPC66643
Remote Similarity 0.5714 NPC203925
Remote Similarity 0.5705 NPC471318
Remote Similarity 0.5705 NPC306740
Remote Similarity 0.5704 NPC84288
Remote Similarity 0.5704 NPC213156
Remote Similarity 0.5704 NPC60679
Remote Similarity 0.5704 NPC240108
Remote Similarity 0.5696 NPC81092
Remote Similarity 0.5696 NPC103605
Remote Similarity 0.5696 NPC471025
Remote Similarity 0.5696 NPC122235
Remote Similarity 0.5694 NPC119271
Remote Similarity 0.5694 NPC51174
Remote Similarity 0.5689 NPC284957
Remote Similarity 0.5687 NPC291419
Remote Similarity 0.5687 NPC48909
Remote Similarity 0.5687 NPC60825
Remote Similarity 0.5686 NPC80150
Remote Similarity 0.5686 NPC473243
Remote Similarity 0.5685 NPC174099
Remote Similarity 0.5685 NPC158854
Remote Similarity 0.5683 NPC92754
Remote Similarity 0.5683 NPC276775
Remote Similarity 0.5683 NPC249912
Remote Similarity 0.5683 NPC325499
Remote Similarity 0.5682 NPC472623
Remote Similarity 0.5682 NPC53299
Remote Similarity 0.5682 NPC293458
Remote Similarity 0.5677 NPC472703
Remote Similarity 0.5676 NPC474584
Remote Similarity 0.5674 NPC42211
Remote Similarity 0.5673 NPC470082
Remote Similarity 0.5667 NPC100353
Remote Similarity 0.5664 NPC269644
Remote Similarity 0.5664 NPC329282
Remote Similarity 0.5664 NPC114594
Remote Similarity 0.5663 NPC77493
Remote Similarity 0.5659 NPC472894
Remote Similarity 0.5657 NPC193410
Remote Similarity 0.5655 NPC475465
Remote Similarity 0.5655 NPC472314
Remote Similarity 0.5649 NPC44830
Remote Similarity 0.5649 NPC50872
Remote Similarity 0.5649 NPC288903
Remote Similarity 0.5646 NPC243355
Remote Similarity 0.5642 NPC167724
Remote Similarity 0.5642 NPC224970
Remote Similarity 0.5642 NPC223595
Remote Similarity 0.5641 NPC472704
Remote Similarity 0.5641 NPC12881
Remote Similarity 0.5641 NPC140118
Remote Similarity 0.5641 NPC470815
Remote Similarity 0.5638 NPC294458
Remote Similarity 0.5634 NPC284477
Remote Similarity 0.5633 NPC147032
Remote Similarity 0.563 NPC9822
Remote Similarity 0.563 NPC220893
Remote Similarity 0.5625 NPC248117
Remote Similarity 0.5625 NPC67043
Remote Similarity 0.5621 NPC202391
Remote Similarity 0.5621 NPC296659

Drug Structure

External Identifiers

TTD  
DrugBank   DB04920
ChEMBL   CHEMBL1237132
IUPHAR/BPS   7468
PharmaGKB  
KEGG Drug   D08892
PubChem CID  
ChEBI   135738
CAS Number  167221-71-8

Drug Properties

Molecular Weight  455.09
ALogP  1.2966
MLogP  2.78
XLogP  4.994
HDA  7
HBD  1
Rotatable Bonds  16
TPSA  90.93
RO5 Violation  0