Natural Product: NPC327542

Natural Product ID:  NPC327542
Common Name:   Gamma-Amino-Beta-Hydroxybutyric Acid
IUPAC Name:   4-amino-3-hydroxybutanoic acid
Synonyms:   Gamma-Amino-Beta-Hydroxybutyric Acid
Molecular Formula:   C4H9NO3
Standard InCHIKey:  YQGDEPYYFWUPGO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
Canonical SMILES:  NCC(CC(=O)O)O
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
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva DOI[10.1007/s11306-012-0464-y]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 35481.3 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 120.52 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 106.53 % 23571415
NPT2 Others Unspecified Potency 16785.5 nM PubChem BioAssay data set

  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 NPC327542 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
0.8542 High Similarity NPC93888
0.8542 High Similarity NPC270805
0.8 Intermediate Similarity NPC295832
0.8 Intermediate Similarity NPC198398
0.8 Intermediate Similarity NPC27359
0.7955 Intermediate Similarity NPC18188
0.7447 Intermediate Similarity NPC226265
0.7447 Intermediate Similarity NPC219143
0.7347 Intermediate Similarity NPC329263
0.7059 Intermediate Similarity NPC181588
0.7018 Intermediate Similarity NPC112224
0.7018 Intermediate Similarity NPC327895
0.7018 Intermediate Similarity NPC43169
0.7018 Intermediate Similarity NPC93861
0.6939 Remote Similarity NPC107645
0.6889 Remote Similarity NPC168052
0.6889 Remote Similarity NPC250870
0.6889 Remote Similarity NPC191084
0.6875 Remote Similarity NPC326992
0.6875 Remote Similarity NPC121517
0.6875 Remote Similarity NPC168375
0.678 Remote Similarity NPC68974
0.6731 Remote Similarity NPC136159
0.6727 Remote Similarity NPC329495
0.6724 Remote Similarity NPC190385
0.6721 Remote Similarity NPC88898
0.6721 Remote Similarity NPC106216
0.6667 Remote Similarity NPC118459
0.6667 Remote Similarity NPC137958
0.6667 Remote Similarity NPC327698
0.6667 Remote Similarity NPC273330
0.6667 Remote Similarity NPC118524
0.66 Remote Similarity NPC276294
0.66 Remote Similarity NPC167986
0.66 Remote Similarity NPC291186
0.6538 Remote Similarity NPC309658
0.6531 Remote Similarity NPC66043
0.6491 Remote Similarity NPC2801
0.6481 Remote Similarity NPC286989
0.6471 Remote Similarity NPC323974
0.6471 Remote Similarity NPC126925
0.6471 Remote Similarity NPC325097
0.6471 Remote Similarity NPC132307
0.6429 Remote Similarity NPC35816
0.6429 Remote Similarity NPC325180
0.6296 Remote Similarity NPC140872
0.6296 Remote Similarity NPC93081
0.6286 Remote Similarity NPC315780
0.625 Remote Similarity NPC202525
0.625 Remote Similarity NPC200550
0.625 Remote Similarity NPC155156
0.6226 Remote Similarity NPC136476
0.6226 Remote Similarity NPC49952
0.62 Remote Similarity NPC53449
0.6182 Remote Similarity NPC316231
0.6182 Remote Similarity NPC84636
0.6182 Remote Similarity NPC324825
0.6182 Remote Similarity NPC112890
0.6182 Remote Similarity NPC43204
0.6182 Remote Similarity NPC174246
0.6182 Remote Similarity NPC62045
0.6182 Remote Similarity NPC162620
0.6182 Remote Similarity NPC245027
0.6182 Remote Similarity NPC226027
0.614 Remote Similarity NPC190184
0.614 Remote Similarity NPC245768
0.614 Remote Similarity NPC197087
0.6111 Remote Similarity NPC101249
0.6087 Remote Similarity NPC114517
0.6078 Remote Similarity NPC35661
0.6042 Remote Similarity NPC116709
0.6042 Remote Similarity NPC272614
0.6042 Remote Similarity NPC21290
0.6038 Remote Similarity NPC208793
0.6038 Remote Similarity NPC285322
0.6034 Remote Similarity NPC322091
0.6034 Remote Similarity NPC60672
0.6 Remote Similarity NPC153370
0.6 Remote Similarity NPC141902
0.5918 Remote Similarity NPC63621
0.5909 Remote Similarity NPC221764
0.5909 Remote Similarity NPC135539
0.5909 Remote Similarity NPC196359
0.5909 Remote Similarity NPC78312
0.5893 Remote Similarity NPC152451
0.5893 Remote Similarity NPC170739
0.5893 Remote Similarity NPC193989
0.5882 Remote Similarity NPC326212
0.5882 Remote Similarity NPC237525
0.5849 Remote Similarity NPC198301
0.5833 Remote Similarity NPC325985
0.5833 Remote Similarity NPC38463
0.5821 Remote Similarity NPC107224
0.5797 Remote Similarity NPC315199
0.5789 Remote Similarity NPC125736
0.5789 Remote Similarity NPC315977
0.5789 Remote Similarity NPC50457
0.5769 Remote Similarity NPC100742
0.5769 Remote Similarity NPC24751
0.5769 Remote Similarity NPC192402
0.5769 Remote Similarity NPC97444
0.5769 Remote Similarity NPC121018
0.5769 Remote Similarity NPC19044
0.5763 Remote Similarity NPC183845
0.5763 Remote Similarity NPC279661
0.5714 Remote Similarity NPC229838
0.5714 Remote Similarity NPC9294
0.5714 Remote Similarity NPC5505
0.5714 Remote Similarity NPC177191
0.5714 Remote Similarity NPC143722
0.5652 Remote Similarity NPC198126
0.5636 Remote Similarity NPC185755
0.5636 Remote Similarity NPC297220
0.5636 Remote Similarity NPC213876
0.5614 Remote Similarity NPC328378
0.5614 Remote Similarity NPC17244

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC327542 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
0.8542 High Similarity NPD8624 Approved
0.8 Intermediate Similarity NPD9225 Phase 3
0.8 Intermediate Similarity NPD9226 Approved
0.7955 Intermediate Similarity NPD8623 Phase 1
0.7447 Intermediate Similarity NPD8216 Approved
0.7447 Intermediate Similarity NPD8217 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD8810 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD9442 Clinical (unspecified phase)
0.6964 Remote Similarity NPD9659 Approved
0.6724 Remote Similarity NPD9023 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8872 Phase 3
0.6667 Remote Similarity NPD8871 Approved
0.66 Remote Similarity NPD8805 Approved
0.66 Remote Similarity NPD8804 Approved
0.6471 Remote Similarity NPD9019 Approved
0.6471 Remote Similarity NPD8798 Approved
0.6452 Remote Similarity NPD1151 Approved
0.6429 Remote Similarity NPD9660 Approved
0.6429 Remote Similarity NPD8851 Phase 1
0.6296 Remote Similarity NPD8808 Approved
0.6296 Remote Similarity NPD8809 Approved
0.6182 Remote Similarity NPD9044 Approved
0.6182 Remote Similarity NPD9018 Approved
0.6182 Remote Similarity NPD9017 Approved
0.6182 Remote Similarity NPD9016 Clinical (unspecified phase)
0.6154 Remote Similarity NPD8842 Clinical (unspecified phase)
0.614 Remote Similarity NPD8785 Approved
0.6111 Remote Similarity NPD8867 Approved
0.6111 Remote Similarity NPD8866 Approved
0.6071 Remote Similarity NPD9025 Approved
0.6042 Remote Similarity NPD8210 Phase 3
0.6042 Remote Similarity NPD8211 Approved
0.6038 Remote Similarity NPD8610 Approved
0.6 Remote Similarity NPD8614 Approved
0.5932 Remote Similarity NPD8971 Approved
0.5926 Remote Similarity NPD8801 Approved
0.5909 Remote Similarity NPD8868 Approved
0.5893 Remote Similarity NPD8802 Approved
0.5893 Remote Similarity NPD8803 Clinical (unspecified phase)
0.5893 Remote Similarity NPD9021 Approved
0.5833 Remote Similarity NPD9454 Approved
0.5806 Remote Similarity NPD8951 Approved
0.5769 Remote Similarity NPD8603 Approved
0.5769 Remote Similarity NPD8601 Approved
0.5769 Remote Similarity NPD8600 Approved
0.5769 Remote Similarity NPD8605 Approved
0.5769 Remote Similarity NPD8599 Approved
0.5769 Remote Similarity NPD8602 Approved
0.5769 Remote Similarity NPD8604 Approved
0.5769 Remote Similarity NPD8598 Approved
0.5741 Remote Similarity NPD9658 Clinical (unspecified phase)
0.5652 Remote Similarity NPD8618 Approved
0.5645 Remote Similarity NPD9433 Approved
0.5636 Remote Similarity NPD8982 Approved
0.5614 Remote Similarity NPD9230 Discontinued

Structure

External Identifiers

PubChem CID   2149;14625150
ChEMBL   CHEMBL93515
ZINC  

Physicochemical Properties

Molecular Weight:  119.06
ALogP:  -1.454
MLogP:  1.46
XLogP:  -1.698
# Rotatable Bonds:  6
Polar Surface Area:  83.55
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  0
# Heavy Atoms:  8

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs