Natural Product: NPC471443

Natural Product ID:  NPC471443
Common Name:   (R)-7-((3R,5S,7Ar)-5-Propyl-Hexahydro-Pyrrolizin-3-Yl)-Heptan-2-Ol
IUPAC Name:   (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol
Synonyms:  
Molecular Formula:   C17H33NO
Standard InCHIKey:  JLXFCRGBJHNVNU-YYIAUSFCSA-N
Standard InCHI:  InChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1
Canonical SMILES:  CCC[C@H]1CC[C@H]2N1[C@H](CCCCC[C@H](O)C)CC2
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO33284 madagascan frogs Species NA NA PMID[10866403]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3922 Protein Complex Acetylcholine receptor Torpedo californica Ki = 3100000 nM 8864236

  Similar Natural Products in NPASS

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

●  The left chart: Distribution of similarity level between NPC471443 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC471605
0.9615 High Similarity NPC471423
0.9615 High Similarity NPC471442
0.8036 Intermediate Similarity NPC178263
0.8036 Intermediate Similarity NPC277072
0.7937 Intermediate Similarity NPC59221
0.7812 Intermediate Similarity NPC306763
0.7812 Intermediate Similarity NPC266242
0.7812 Intermediate Similarity NPC254617
0.7812 Intermediate Similarity NPC74555
0.7692 Intermediate Similarity NPC473419
0.7692 Intermediate Similarity NPC475715
0.7692 Intermediate Similarity NPC475127
0.7656 Intermediate Similarity NPC141156
0.7656 Intermediate Similarity NPC184150
0.7576 Intermediate Similarity NPC115800
0.7576 Intermediate Similarity NPC163538
0.7538 Intermediate Similarity NPC474469
0.75 Intermediate Similarity NPC294883
0.75 Intermediate Similarity NPC12514
0.7119 Intermediate Similarity NPC270041
0.7015 Intermediate Similarity NPC171850
0.6949 Remote Similarity NPC474322
0.6949 Remote Similarity NPC123814
0.6842 Remote Similarity NPC96966
0.6842 Remote Similarity NPC121062
0.6842 Remote Similarity NPC29222
0.6825 Remote Similarity NPC471421
0.6825 Remote Similarity NPC233364
0.6818 Remote Similarity NPC233034
0.6731 Remote Similarity NPC166030
0.6667 Remote Similarity NPC471607
0.662 Remote Similarity NPC474468
0.6571 Remote Similarity NPC475694
0.6571 Remote Similarity NPC473710
0.6562 Remote Similarity NPC319991
0.6522 Remote Similarity NPC34291
0.6522 Remote Similarity NPC126664
0.6515 Remote Similarity NPC17455
0.6508 Remote Similarity NPC8979
0.6418 Remote Similarity NPC471419
0.6418 Remote Similarity NPC163134
0.64 Remote Similarity NPC233108
0.6324 Remote Similarity NPC474928
0.6269 Remote Similarity NPC145627
0.625 Remote Similarity NPC476695
0.625 Remote Similarity NPC476696
0.625 Remote Similarity NPC476694
0.625 Remote Similarity NPC306973
0.6212 Remote Similarity NPC319131
0.619 Remote Similarity NPC471917
0.619 Remote Similarity NPC275727
0.6154 Remote Similarity NPC97967
0.6119 Remote Similarity NPC474014
0.6119 Remote Similarity NPC57846
0.6119 Remote Similarity NPC30126
0.6119 Remote Similarity NPC112398
0.6102 Remote Similarity NPC289484
0.6102 Remote Similarity NPC319709
0.6061 Remote Similarity NPC476537
0.6061 Remote Similarity NPC216415
0.6038 Remote Similarity NPC474392
0.6038 Remote Similarity NPC474914
0.6032 Remote Similarity NPC272396
0.6 Remote Similarity NPC293551
0.6 Remote Similarity NPC77191
0.6 Remote Similarity NPC471440
0.6 Remote Similarity NPC69798
0.6 Remote Similarity NPC116377
0.6 Remote Similarity NPC471575
0.6 Remote Similarity NPC101746
0.6 Remote Similarity NPC473952
0.5972 Remote Similarity NPC268922
0.5921 Remote Similarity NPC477002
0.5909 Remote Similarity NPC168308
0.5909 Remote Similarity NPC302569
0.5882 Remote Similarity NPC62507
0.5882 Remote Similarity NPC8087
0.5833 Remote Similarity NPC195165
0.5833 Remote Similarity NPC471418
0.5823 Remote Similarity NPC216090
0.5821 Remote Similarity NPC170172
0.5789 Remote Similarity NPC241279
0.5769 Remote Similarity NPC319034
0.5769 Remote Similarity NPC291158
0.5769 Remote Similarity NPC272998
0.5769 Remote Similarity NPC205141
0.5769 Remote Similarity NPC185538
0.5769 Remote Similarity NPC181516
0.5769 Remote Similarity NPC1748
0.5769 Remote Similarity NPC193062
0.5769 Remote Similarity NPC139131
0.5769 Remote Similarity NPC72324
0.5769 Remote Similarity NPC66124
0.5758 Remote Similarity NPC65832
0.5758 Remote Similarity NPC311668
0.5758 Remote Similarity NPC10262
0.5753 Remote Similarity NPC23721
0.5735 Remote Similarity NPC328786
0.5735 Remote Similarity NPC201338
0.5735 Remote Similarity NPC474627
0.5696 Remote Similarity NPC475363
0.5696 Remote Similarity NPC473971
0.5696 Remote Similarity NPC473972
0.5694 Remote Similarity NPC113224
0.5679 Remote Similarity NPC109533
0.5663 Remote Similarity NPC277918
0.5647 Remote Similarity NPC52533
0.5634 Remote Similarity NPC160661
0.5625 Remote Similarity NPC470664
0.56 Remote Similarity NPC28959
0.56 Remote Similarity NPC477200
0.56 Remote Similarity NPC255535
0.56 Remote Similarity NPC137554
0.56 Remote Similarity NPC285014
0.56 Remote Similarity NPC299603

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC471443 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7273 Intermediate Similarity NPD9444 Discontinued
0.7193 Intermediate Similarity NPD3214 Discontinued
0.6949 Remote Similarity NPD3215 Phase 1
0.6818 Remote Similarity NPD9440 Discontinued
0.6522 Remote Similarity NPD9443 Clinical (unspecified phase)
0.625 Remote Similarity NPD6439 Phase 3
0.6119 Remote Similarity NPD393 Approved
0.6111 Remote Similarity NPD2697 Approved
0.6111 Remote Similarity NPD2696 Approved
0.6111 Remote Similarity NPD2695 Approved
0.6111 Remote Similarity NPD2694 Approved
0.6102 Remote Similarity NPD3211 Approved
0.597 Remote Similarity NPD9455 Approved
0.5857 Remote Similarity NPD4272 Discontinued
0.5849 Remote Similarity NPD1833 Approved
0.5849 Remote Similarity NPD1832 Approved
0.5846 Remote Similarity NPD6706 Discontinued
0.5802 Remote Similarity NPD883 Phase 2
0.5802 Remote Similarity NPD882 Phase 2
0.5769 Remote Similarity NPD2272 Approved
0.5769 Remote Similarity NPD5383 Approved
0.5634 Remote Similarity NPD1457 Discontinued

Structure

External Identifiers

PubChem CID   12049955
ChEMBL   CHEMBL24751
ZINC  

Physicochemical Properties

Molecular Weight:  267.26
ALogP:  -3.7141
MLogP:  3.11
XLogP:  4.288
# Rotatable Bonds:  11
Polar Surface Area:  23.47
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  19

Download Data

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Structure MOL file  
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Similar NPs/Drugs