Natural Product: NPC326079

Natural Product ID:  NPC326079
Common Name:   (2S)-2-Amino-3-(4-Phosphonooxyphenyl)Propanoic Acid
IUPAC Name:   (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid
Synonyms:  
Molecular Formula:   C9H12NO6P
Standard InCHIKey:  DCWXELXMIBXGTH-QMMMGPOBSA-N
Standard InCHI:  InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
Canonical SMILES:  OC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)N
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 urine PMID[7688003]
NPO730 Escherichia coli Species Enterobacteriaceae Bacteria PMID[21988831]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT13 Individual Protein Tyrosine-protein kinase LCK Homo sapiens ID50 = 5.00E-06 nM 7537333
NPT36 Individual Protein Tyrosine-protein kinase SRC Homo sapiens ID50 = 3.5 nM 7537333
NPT2 Others Unspecified ID50 = 2.3 nM 7537333
NPT2 Others Unspecified ID50 = 3.5 nM 7537333
NPT4020 Individual Protein Growth factor receptor-bound protein 2 Homo sapiens ID50 = 6.2 nM 7537333
NPT206 Individual Protein Protein-tyrosine phosphatase 2C Homo sapiens ID50 > 3.30E-05 nM 7537333

  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 NPC326079 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
0.9217 High Similarity NPC188867
0.9217 High Similarity NPC106551
0.9217 High Similarity NPC281686
0.8983 High Similarity NPC239697
0.876 High Similarity NPC27581
0.8739 High Similarity NPC317784
0.8739 High Similarity NPC142638
0.8512 High Similarity NPC319950
0.8492 Intermediate Similarity NPC145888
0.8492 Intermediate Similarity NPC16031
0.8492 Intermediate Similarity NPC161593
0.8425 Intermediate Similarity NPC325651
0.8306 Intermediate Similarity NPC142577
0.8231 Intermediate Similarity NPC88667
0.8154 Intermediate Similarity NPC48909
0.8015 Intermediate Similarity NPC326966
0.7984 Intermediate Similarity NPC476353
0.7984 Intermediate Similarity NPC321561
0.7965 Intermediate Similarity NPC293628
0.7965 Intermediate Similarity NPC10781
0.7965 Intermediate Similarity NPC122493
0.7937 Intermediate Similarity NPC56634
0.7923 Intermediate Similarity NPC296712
0.7868 Intermediate Similarity NPC259800
0.7868 Intermediate Similarity NPC318984
0.7868 Intermediate Similarity NPC328137
0.7868 Intermediate Similarity NPC318028
0.7868 Intermediate Similarity NPC241086
0.7868 Intermediate Similarity NPC317741
0.7868 Intermediate Similarity NPC282087
0.7863 Intermediate Similarity NPC478147
0.7826 Intermediate Similarity NPC125732
0.7826 Intermediate Similarity NPC245561
0.7807 Intermediate Similarity NPC324569
0.7759 Intermediate Similarity NPC52472
0.7754 Intermediate Similarity NPC66518
0.7744 Intermediate Similarity NPC45191
0.7737 Intermediate Similarity NPC326860
0.7737 Intermediate Similarity NPC197239
0.7734 Intermediate Similarity NPC474862
0.7724 Intermediate Similarity NPC309808
0.7687 Intermediate Similarity NPC470392
0.7687 Intermediate Similarity NPC244866
0.7686 Intermediate Similarity NPC145638
0.7686 Intermediate Similarity NPC290566
0.7664 Intermediate Similarity NPC48202
0.7647 Intermediate Similarity NPC13495
0.7626 Intermediate Similarity NPC13696
0.7535 Intermediate Similarity NPC17760
0.7518 Intermediate Similarity NPC6913
0.75 Intermediate Similarity NPC67043
0.75 Intermediate Similarity NPC283760
0.7479 Intermediate Similarity NPC68055
0.7479 Intermediate Similarity NPC164859
0.7436 Intermediate Similarity NPC260000
0.7398 Intermediate Similarity NPC326187
0.7373 Intermediate Similarity NPC280869
0.736 Intermediate Similarity NPC146422
0.7339 Intermediate Similarity NPC222084
0.7333 Intermediate Similarity NPC13426
0.7323 Intermediate Similarity NPC213
0.7323 Intermediate Similarity NPC10286
0.7317 Intermediate Similarity NPC97811
0.7317 Intermediate Similarity NPC31274
0.7311 Intermediate Similarity NPC29601
0.7305 Intermediate Similarity NPC91953
0.7286 Intermediate Similarity NPC238412
0.728 Intermediate Similarity NPC329011
0.7266 Intermediate Similarity NPC6570
0.7258 Intermediate Similarity NPC234639
0.7246 Intermediate Similarity NPC243404
0.7239 Intermediate Similarity NPC124776
0.7234 Intermediate Similarity NPC197921
0.7227 Intermediate Similarity NPC12730
0.7226 Intermediate Similarity NPC257390
0.7222 Intermediate Similarity NPC17693
0.7222 Intermediate Similarity NPC48525
0.7222 Intermediate Similarity NPC474584
0.72 Intermediate Similarity NPC319579
0.7194 Intermediate Similarity NPC470441
0.719 Intermediate Similarity NPC178902
0.7188 Intermediate Similarity NPC317254
0.7183 Intermediate Similarity NPC469360
0.7174 Intermediate Similarity NPC328070
0.7167 Intermediate Similarity NPC155847
0.7167 Intermediate Similarity NPC289381
0.7165 Intermediate Similarity NPC148969
0.7154 Intermediate Similarity NPC188677
0.7154 Intermediate Similarity NPC317592
0.7154 Intermediate Similarity NPC327481
0.7154 Intermediate Similarity NPC70843
0.7143 Intermediate Similarity NPC164514
0.7143 Intermediate Similarity NPC241392
0.7143 Intermediate Similarity NPC108606
0.7143 Intermediate Similarity NPC226096
0.7143 Intermediate Similarity NPC303611
0.7143 Intermediate Similarity NPC290515
0.7143 Intermediate Similarity NPC109580
0.7143 Intermediate Similarity NPC163674
0.7143 Intermediate Similarity NPC107619
0.7143 Intermediate Similarity NPC227553
0.7131 Intermediate Similarity NPC8931
0.7131 Intermediate Similarity NPC120693
0.7131 Intermediate Similarity NPC261573
0.7114 Intermediate Similarity NPC473580
0.7109 Intermediate Similarity NPC118202
0.7109 Intermediate Similarity NPC221870
0.7092 Intermediate Similarity NPC473055
0.7092 Intermediate Similarity NPC473052
0.7077 Intermediate Similarity NPC311737
0.7077 Intermediate Similarity NPC38458
0.7073 Intermediate Similarity NPC42383
0.7059 Intermediate Similarity NPC305717
0.7054 Intermediate Similarity NPC197470
0.7054 Intermediate Similarity NPC160179
0.7054 Intermediate Similarity NPC4665
0.7054 Intermediate Similarity NPC51345
0.7045 Intermediate Similarity NPC115627
0.7045 Intermediate Similarity NPC118522
0.7045 Intermediate Similarity NPC169207
0.7042 Intermediate Similarity NPC322526
0.704 Intermediate Similarity NPC153690
0.7039 Intermediate Similarity NPC469243
0.7034 Intermediate Similarity NPC20142
0.7034 Intermediate Similarity NPC81010
0.7034 Intermediate Similarity NPC215351
0.7034 Intermediate Similarity NPC32977
0.7031 Intermediate Similarity NPC109241
0.7031 Intermediate Similarity NPC26524
0.7031 Intermediate Similarity NPC59387
0.7023 Intermediate Similarity NPC85276
0.7016 Intermediate Similarity NPC95178
0.7016 Intermediate Similarity NPC29989
0.7016 Intermediate Similarity NPC231705
0.7016 Intermediate Similarity NPC69332
0.7016 Intermediate Similarity NPC1065
0.7016 Intermediate Similarity NPC184658
0.7014 Intermediate Similarity NPC204546
0.7 Intermediate Similarity NPC82963
0.7 Intermediate Similarity NPC128249
0.6984 Remote Similarity NPC258056
0.6984 Remote Similarity NPC88141
0.6972 Remote Similarity NPC242159
0.6972 Remote Similarity NPC313694
0.696 Remote Similarity NPC142297
0.696 Remote Similarity NPC226699
0.696 Remote Similarity NPC228737
0.696 Remote Similarity NPC29883
0.6947 Remote Similarity NPC137096
0.694 Remote Similarity NPC268348
0.6929 Remote Similarity NPC474149
0.6929 Remote Similarity NPC21162
0.6928 Remote Similarity NPC475544
0.6923 Remote Similarity NPC471201
0.6911 Remote Similarity NPC470202
0.6905 Remote Similarity NPC24101
0.6905 Remote Similarity NPC317305
0.6905 Remote Similarity NPC96224
0.6903 Remote Similarity NPC223207
0.6894 Remote Similarity NPC104514
0.6894 Remote Similarity NPC311091
0.6894 Remote Similarity NPC471033
0.6894 Remote Similarity NPC205502
0.6894 Remote Similarity NPC63126
0.688 Remote Similarity NPC6984
0.6875 Remote Similarity NPC177576
0.6875 Remote Similarity NPC21890
0.687 Remote Similarity NPC471924
0.687 Remote Similarity NPC471925
0.687 Remote Similarity NPC471928
0.686 Remote Similarity NPC322598
0.686 Remote Similarity NPC140619
0.6859 Remote Similarity NPC304074
0.6859 Remote Similarity NPC290755
0.6859 Remote Similarity NPC471771
0.6855 Remote Similarity NPC147000
0.6855 Remote Similarity NPC150254
0.6855 Remote Similarity NPC304761
0.6855 Remote Similarity NPC226778
0.685 Remote Similarity NPC95172
0.685 Remote Similarity NPC259554
0.6846 Remote Similarity NPC324081
0.6833 Remote Similarity NPC246679
0.6828 Remote Similarity NPC251439
0.6825 Remote Similarity NPC186469
0.6818 Remote Similarity NPC471926
0.681 Remote Similarity NPC23167
0.6809 Remote Similarity NPC208757
0.6803 Remote Similarity NPC171843
0.6803 Remote Similarity NPC81026
0.68 Remote Similarity NPC476198
0.68 Remote Similarity NPC303141
0.6797 Remote Similarity NPC321252
0.6797 Remote Similarity NPC252544
0.6795 Remote Similarity NPC63931
0.6791 Remote Similarity NPC190663
0.6788 Remote Similarity NPC4974
0.6788 Remote Similarity NPC171372
0.6786 Remote Similarity NPC120251
0.6783 Remote Similarity NPC175313

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC326079 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
0.9217 High Similarity NPD9568 Approved
0.8644 High Similarity NPD256 Approved
0.8644 High Similarity NPD255 Approved
0.8548 High Similarity NPD196 Phase 1
0.8492 Intermediate Similarity NPD9569 Approved
0.8231 Intermediate Similarity NPD259 Phase 1
0.8217 Intermediate Similarity NPD9536 Phase 1
0.8217 Intermediate Similarity NPD9537 Phase 1
0.8106 Intermediate Similarity NPD555 Phase 2
0.8077 Intermediate Similarity NPD3136 Phase 2
0.8017 Intermediate Similarity NPD9610 Approved
0.8017 Intermediate Similarity NPD9608 Approved
0.7985 Intermediate Similarity NPD1536 Approved
0.7984 Intermediate Similarity NPD258 Approved
0.7984 Intermediate Similarity NPD257 Approved
0.7965 Intermediate Similarity NPD9566 Approved
0.7939 Intermediate Similarity NPD9718 Approved
0.7868 Intermediate Similarity NPD1538 Phase 1
0.7868 Intermediate Similarity NPD9570 Approved
0.7868 Intermediate Similarity NPD1537 Approved
0.7868 Intermediate Similarity NPD1519 Approved
0.7852 Intermediate Similarity NPD1521 Approved
0.7852 Intermediate Similarity NPD1520 Approved
0.7737 Intermediate Similarity NPD1523 Approved
0.7737 Intermediate Similarity NPD1522 Approved
0.7727 Intermediate Similarity NPD2614 Approved
0.7686 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD825 Approved
0.763 Intermediate Similarity NPD826 Approved
0.7619 Intermediate Similarity NPD1758 Phase 1
0.7574 Intermediate Similarity NPD274 Approved
0.7574 Intermediate Similarity NPD275 Approved
0.7559 Intermediate Similarity NPD1759 Phase 1
0.7557 Intermediate Similarity NPD9634 Clinical (unspecified phase)
0.7536 Intermediate Similarity NPD6866 Clinical (unspecified phase)
0.7536 Intermediate Similarity NPD6867 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD6682 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD7450 Phase 2
0.748 Intermediate Similarity NPD317 Approved
0.748 Intermediate Similarity NPD318 Approved
0.7429 Intermediate Similarity NPD7978 Discontinued
0.7413 Intermediate Similarity NPD7554 Discontinued
0.7385 Intermediate Similarity NPD3881 Discontinued
0.7381 Intermediate Similarity NPD9614 Approved
0.7381 Intermediate Similarity NPD9618 Approved
0.736 Intermediate Similarity NPD9379 Approved
0.736 Intermediate Similarity NPD9377 Approved
0.7329 Intermediate Similarity NPD7523 Phase 3
0.7324 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD253 Approved
0.7273 Intermediate Similarity NPD3880 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD9281 Approved
0.7234 Intermediate Similarity NPD2239 Approved
0.7234 Intermediate Similarity NPD2240 Approved
0.723 Intermediate Similarity NPD3455 Phase 2
0.7218 Intermediate Similarity NPD182 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD856 Approved
0.7209 Intermediate Similarity NPD16 Approved
0.7153 Intermediate Similarity NPD3400 Discontinued
0.7143 Intermediate Similarity NPD9611 Approved
0.7143 Intermediate Similarity NPD9612 Approved
0.7143 Intermediate Similarity NPD2562 Approved
0.7143 Intermediate Similarity NPD2561 Approved
0.7143 Intermediate Similarity NPD9508 Approved
0.7143 Intermediate Similarity NPD9609 Approved
0.709 Intermediate Similarity NPD9622 Approved
0.7086 Intermediate Similarity NPD7495 Discontinued
0.7086 Intermediate Similarity NPD5356 Approved
0.7086 Intermediate Similarity NPD8019 Approved
0.7086 Intermediate Similarity NPD5355 Approved
0.7073 Intermediate Similarity NPD1040 Phase 2
0.7059 Intermediate Similarity NPD7451 Discontinued
0.7054 Intermediate Similarity NPD1348 Approved
0.7045 Intermediate Similarity NPD9381 Approved
0.7045 Intermediate Similarity NPD9384 Approved
0.7025 Intermediate Similarity NPD3028 Approved
0.7014 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.696 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5348 Clinical (unspecified phase)
0.6947 Remote Similarity NPD9615 Approved
0.6947 Remote Similarity NPD9616 Approved
0.6947 Remote Similarity NPD9613 Approved
0.6929 Remote Similarity NPD5745 Approved
0.6913 Remote Similarity NPD6390 Discontinued
0.6894 Remote Similarity NPD316 Approved
0.6879 Remote Similarity NPD2203 Discontinued
0.6866 Remote Similarity NPD3847 Discontinued
0.6861 Remote Similarity NPD1129 Approved
0.6861 Remote Similarity NPD1131 Approved
0.6861 Remote Similarity NPD3055 Approved
0.6861 Remote Similarity NPD1134 Approved
0.6861 Remote Similarity NPD1133 Approved
0.6861 Remote Similarity NPD1135 Approved
0.6861 Remote Similarity NPD3053 Approved
0.6855 Remote Similarity NPD10 Approved
0.6855 Remote Similarity NPD314 Approved
0.6855 Remote Similarity NPD311 Approved
0.6855 Remote Similarity NPD315 Approved
0.6855 Remote Similarity NPD310 Approved
0.6855 Remote Similarity NPD309 Approved
0.6846 Remote Similarity NPD747 Discontinued
0.6842 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6786 Remote Similarity NPD5163 Phase 2
0.6786 Remote Similarity NPD5746 Approved
0.6769 Remote Similarity NPD2228 Approved
0.6769 Remote Similarity NPD2234 Approved
0.6769 Remote Similarity NPD2229 Approved
0.6767 Remote Similarity NPD2218 Phase 2
0.6767 Remote Similarity NPD2217 Approved
0.6738 Remote Similarity NPD598 Approved
0.6738 Remote Similarity NPD601 Approved
0.6738 Remote Similarity NPD597 Approved
0.6733 Remote Similarity NPD3536 Discontinued
0.6718 Remote Similarity NPD593 Approved
0.6718 Remote Similarity NPD595 Approved
0.6715 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6715 Remote Similarity NPD1755 Approved
0.6693 Remote Similarity NPD9264 Approved
0.6693 Remote Similarity NPD9263 Approved
0.6693 Remote Similarity NPD9267 Approved
0.6691 Remote Similarity NPD2194 Approved
0.6691 Remote Similarity NPD9620 Approved
0.6691 Remote Similarity NPD9621 Approved
0.6691 Remote Similarity NPD2195 Approved
0.6691 Remote Similarity NPD1535 Discovery
0.6691 Remote Similarity NPD9619 Approved
0.669 Remote Similarity NPD1130 Approved
0.669 Remote Similarity NPD1136 Approved
0.669 Remote Similarity NPD1132 Approved
0.6667 Remote Similarity NPD3643 Approved
0.6667 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6667 Remote Similarity NPD188 Approved
0.6667 Remote Similarity NPD4794 Discontinued
0.6667 Remote Similarity NPD2653 Approved
0.6667 Remote Similarity NPD5310 Approved
0.6667 Remote Similarity NPD3644 Approved
0.6667 Remote Similarity NPD2568 Approved
0.6667 Remote Similarity NPD5311 Approved
0.6667 Remote Similarity NPD9491 Approved
0.6667 Remote Similarity NPD3642 Approved
0.6667 Remote Similarity NPD189 Phase 3
0.6646 Remote Similarity NPD8303 Discontinued
0.6642 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6642 Remote Similarity NPD9545 Approved
0.6642 Remote Similarity NPD1481 Phase 2
0.6642 Remote Similarity NPD1894 Discontinued
0.6641 Remote Similarity NPD74 Approved
0.6641 Remote Similarity NPD9266 Approved
0.6641 Remote Similarity NPD1370 Approved
0.6641 Remote Similarity NPD1374 Approved
0.6641 Remote Similarity NPD1371 Approved
0.6641 Remote Similarity NPD1373 Approved
0.6617 Remote Similarity NPD5162 Approved
0.6614 Remote Similarity NPD1445 Approved
0.6614 Remote Similarity NPD1444 Approved
0.6612 Remote Similarity NPD2933 Approved
0.6612 Remote Similarity NPD2934 Approved
0.6603 Remote Similarity NPD7972 Discontinued
0.6596 Remote Similarity NPD600 Approved
0.6596 Remote Similarity NPD596 Approved
0.6594 Remote Similarity NPD4659 Approved
0.6585 Remote Similarity NPD9495 Approved
0.6581 Remote Similarity NPD6677 Suspended
0.6581 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6581 Remote Similarity NPD7118 Clinical (unspecified phase)
0.6579 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6579 Remote Similarity NPD4186 Clinical (unspecified phase)
0.6573 Remote Similarity NPD6407 Approved
0.6573 Remote Similarity NPD829 Discontinued
0.6573 Remote Similarity NPD520 Approved
0.6573 Remote Similarity NPD6405 Approved
0.6571 Remote Similarity NPD602 Approved
0.6571 Remote Similarity NPD599 Approved
0.6571 Remote Similarity NPD558 Phase 2
0.6569 Remote Similarity NPD4761 Approved
0.6569 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6569 Remote Similarity NPD4762 Approved
0.6561 Remote Similarity NPD2097 Approved
0.6557 Remote Similarity NPD2859 Approved
0.6557 Remote Similarity NPD2860 Approved
0.6552 Remote Similarity NPD817 Approved
0.6552 Remote Similarity NPD3054 Approved
0.6552 Remote Similarity NPD823 Approved
0.6552 Remote Similarity NPD111 Approved
0.6552 Remote Similarity NPD3052 Approved
0.6547 Remote Similarity NPD2198 Approved
0.6547 Remote Similarity NPD2199 Approved
0.6538 Remote Similarity NPD4227 Discontinued
0.6536 Remote Similarity NPD1670 Discontinued
0.6532 Remote Similarity NPD9712 Approved
0.6528 Remote Similarity NPD3061 Approved
0.6528 Remote Similarity NPD3059 Approved
0.6528 Remote Similarity NPD3062 Approved
0.6522 Remote Similarity NPD7608 Discontinued
0.6522 Remote Similarity NPD3073 Approved
0.6522 Remote Similarity NPD3072 Approved
0.6522 Remote Similarity NPD3071 Approved
0.6519 Remote Similarity NPD5304 Approved
0.6519 Remote Similarity NPD5303 Approved

Structure

External Identifiers

PubChem CID   30819
ChEMBL   CHEMBL286939
ZINC  

Physicochemical Properties

Molecular Weight:  261.04
ALogP:  -1.4805
MLogP:  1.57
XLogP:  -2.806
# Rotatable Bonds:  9
Polar Surface Area:  139.89
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  17

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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