Natural Product: NPC325534

Natural Product ID:  NPC325534
Common Name:   2-(Carbamoylamino)Pentanedioic Acid
IUPAC Name:   2-(carbamoylamino)pentanedioic acid
Synonyms:  
Molecular Formula:   C6H10N2O5
Standard InCHIKey:  LCQLHJZYVOQKHU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)
Canonical SMILES:  OC(=O)CCC(C(=O)O)NC(=N)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 DOI[10.1007/s11306-014-0642-1]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 562.3 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 103.2 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 NPC325534 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
0.8125 Intermediate Similarity NPC118429
0.7846 Intermediate Similarity NPC322206
0.7833 Intermediate Similarity NPC202525
0.7667 Intermediate Similarity NPC273330
0.7667 Intermediate Similarity NPC137958
0.7612 Intermediate Similarity NPC103130
0.7612 Intermediate Similarity NPC226453
0.75 Intermediate Similarity NPC278881
0.7424 Intermediate Similarity NPC143722
0.7419 Intermediate Similarity NPC245768
0.7391 Intermediate Similarity NPC327985
0.7344 Intermediate Similarity NPC325985
0.7188 Intermediate Similarity NPC10915
0.7188 Intermediate Similarity NPC2801
0.7183 Intermediate Similarity NPC81647
0.7143 Intermediate Similarity NPC197087
0.7143 Intermediate Similarity NPC190184
0.7083 Intermediate Similarity NPC133183
0.7077 Intermediate Similarity NPC38463
0.7015 Intermediate Similarity NPC321536
0.6923 Remote Similarity NPC322573
0.6912 Remote Similarity NPC177191
0.6892 Remote Similarity NPC328457
0.6875 Remote Similarity NPC189178
0.6875 Remote Similarity NPC263065
0.6866 Remote Similarity NPC11433
0.6866 Remote Similarity NPC302003
0.6866 Remote Similarity NPC245346
0.6765 Remote Similarity NPC64250
0.6765 Remote Similarity NPC276928
0.6765 Remote Similarity NPC268927
0.6719 Remote Similarity NPC155156
0.6719 Remote Similarity NPC200550
0.662 Remote Similarity NPC289691
0.6557 Remote Similarity NPC327698
0.6557 Remote Similarity NPC329263
0.6557 Remote Similarity NPC118459
0.6528 Remote Similarity NPC325597
0.6528 Remote Similarity NPC174304
0.6508 Remote Similarity NPC93081
0.6508 Remote Similarity NPC140872
0.6471 Remote Similarity NPC278209
0.6456 Remote Similarity NPC315780
0.6406 Remote Similarity NPC316231
0.6406 Remote Similarity NPC324825
0.6406 Remote Similarity NPC112890
0.6393 Remote Similarity NPC198301
0.6389 Remote Similarity NPC88898
0.6389 Remote Similarity NPC106216
0.6301 Remote Similarity NPC50047
0.6267 Remote Similarity NPC319046
0.625 Remote Similarity NPC327252
0.6197 Remote Similarity NPC68974
0.6184 Remote Similarity NPC126779
0.6154 Remote Similarity NPC84636
0.6154 Remote Similarity NPC226027
0.6154 Remote Similarity NPC162620
0.6154 Remote Similarity NPC245027
0.6154 Remote Similarity NPC62045
0.6154 Remote Similarity NPC174246
0.6154 Remote Similarity NPC43204
0.6143 Remote Similarity NPC189301
0.6143 Remote Similarity NPC176164
0.6133 Remote Similarity NPC188231
0.6133 Remote Similarity NPC118524
0.6133 Remote Similarity NPC135539
0.6133 Remote Similarity NPC196359
0.6133 Remote Similarity NPC78312
0.6133 Remote Similarity NPC221764
0.6133 Remote Similarity NPC222327
0.6129 Remote Similarity NPC40511
0.6056 Remote Similarity NPC254541
0.6056 Remote Similarity NPC321468
0.6056 Remote Similarity NPC320598
0.6056 Remote Similarity NPC316826
0.6056 Remote Similarity NPC327748
0.6056 Remote Similarity NPC317143
0.6053 Remote Similarity NPC107224
0.6029 Remote Similarity NPC322091
0.6029 Remote Similarity NPC60672
0.6029 Remote Similarity NPC279661
0.6029 Remote Similarity NPC183845
0.6 Remote Similarity NPC317147
0.6 Remote Similarity NPC287693
0.6 Remote Similarity NPC318260
0.5977 Remote Similarity NPC69374
0.5977 Remote Similarity NPC90476
0.5976 Remote Similarity NPC314680
0.5976 Remote Similarity NPC191774
0.5974 Remote Similarity NPC322274
0.5974 Remote Similarity NPC15864
0.5972 Remote Similarity NPC329564
0.5972 Remote Similarity NPC327170
0.597 Remote Similarity NPC29950
0.597 Remote Similarity NPC19576
0.5952 Remote Similarity NPC219340
0.5949 Remote Similarity NPC185084
0.5938 Remote Similarity NPC195448
0.5902 Remote Similarity NPC121517
0.5902 Remote Similarity NPC168375
0.5902 Remote Similarity NPC326992
0.589 Remote Similarity NPC273037
0.5875 Remote Similarity NPC320221
0.5833 Remote Similarity NPC18188
0.5821 Remote Similarity NPC327239
0.5758 Remote Similarity NPC153370
0.5733 Remote Similarity NPC315744
0.5714 Remote Similarity NPC167986
0.5714 Remote Similarity NPC276294
0.5714 Remote Similarity NPC327831
0.5714 Remote Similarity NPC291186
0.5692 Remote Similarity NPC297220
0.5672 Remote Similarity NPC328378
0.5672 Remote Similarity NPC17244
0.5667 Remote Similarity NPC304454
0.5663 Remote Similarity NPC59867
0.5625 Remote Similarity NPC323974
0.5625 Remote Similarity NPC126925
0.5625 Remote Similarity NPC325097
0.5625 Remote Similarity NPC132307
0.561 Remote Similarity NPC327272
0.5606 Remote Similarity NPC136159

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC325534 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
1.0 High Similarity NPD8952 Approved
0.8125 Intermediate Similarity NPD9014 Approved
0.7667 Intermediate Similarity NPD8871 Approved
0.7667 Intermediate Similarity NPD8872 Phase 3
0.7612 Intermediate Similarity NPD9047 Approved
0.7612 Intermediate Similarity NPD9045 Approved
0.7612 Intermediate Similarity NPD9046 Phase 3
0.7612 Intermediate Similarity NPD9048 Approved
0.7419 Intermediate Similarity NPD8851 Phase 1
0.7286 Intermediate Similarity NPD9232 Phase 2
0.7286 Intermediate Similarity NPD9233 Phase 3
0.7286 Intermediate Similarity NPD9231 Phase 3
0.7183 Intermediate Similarity NPD9451 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8785 Approved
0.7121 Intermediate Similarity NPD9433 Approved
0.6933 Remote Similarity NPD366 Approved
0.6875 Remote Similarity NPD9205 Approved
0.6875 Remote Similarity NPD9204 Approved
0.6866 Remote Similarity NPD8865 Approved
0.6575 Remote Similarity NPD1429 Clinical (unspecified phase)
0.6528 Remote Similarity NPD348 Approved
0.6508 Remote Similarity NPD8809 Approved
0.6508 Remote Similarity NPD8808 Approved
0.6447 Remote Similarity NPD5382 Phase 2
0.6406 Remote Similarity NPD9044 Approved
0.6351 Remote Similarity NPD886 Clinical (unspecified phase)
0.6338 Remote Similarity NPD574 Approved
0.6267 Remote Similarity NPD337 Discontinued
0.6267 Remote Similarity NPD4241 Registered
0.625 Remote Similarity NPD575 Clinical (unspecified phase)
0.6184 Remote Similarity NPD4242 Approved
0.6154 Remote Similarity NPD9018 Approved
0.6154 Remote Similarity NPD9016 Clinical (unspecified phase)
0.6154 Remote Similarity NPD9017 Approved
0.6133 Remote Similarity NPD9421 Phase 1
0.6133 Remote Similarity NPD8868 Approved
0.6125 Remote Similarity NPD9224 Clinical (unspecified phase)
0.6071 Remote Similarity NPD1125 Discovery
0.6053 Remote Similarity NPD9452 Clinical (unspecified phase)
0.6026 Remote Similarity NPD2262 Clinical (unspecified phase)
0.6 Remote Similarity NPD4829 Discontinued
0.5976 Remote Similarity NPD4278 Clinical (unspecified phase)
0.597 Remote Similarity NPD8847 Approved
0.597 Remote Similarity NPD61 Approved
0.597 Remote Similarity NPD8846 Approved
0.5949 Remote Similarity NPD6944 Clinical (unspecified phase)
0.5938 Remote Similarity NPD8621 Approved
0.5875 Remote Similarity NPD9109 Discontinued
0.5875 Remote Similarity NPD9217 Clinical (unspecified phase)
0.5857 Remote Similarity NPD8864 Clinical (unspecified phase)
0.5833 Remote Similarity NPD8623 Phase 1
0.5758 Remote Similarity NPD8614 Approved
0.575 Remote Similarity NPD1147 Phase 2
0.5714 Remote Similarity NPD8971 Approved
0.5714 Remote Similarity NPD8805 Approved
0.5714 Remote Similarity NPD8804 Approved
0.5672 Remote Similarity NPD9230 Discontinued
0.5634 Remote Similarity NPD8980 Approved
0.5634 Remote Similarity NPD8979 Approved
0.5634 Remote Similarity NPD8981 Clinical (unspecified phase)
0.5625 Remote Similarity NPD8798 Approved
0.5625 Remote Similarity NPD9019 Approved

Structure

External Identifiers

PubChem CID   3679006
ChEMBL   CHEMBL1891960
ZINC  

Physicochemical Properties

Molecular Weight:  190.06
ALogP:  -0.9644
MLogP:  1.35
XLogP:  -0.389
# Rotatable Bonds:  9
Polar Surface Area:  130.71
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  0
# Heavy Atoms:  13

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs