Natural Product: NPC41429

Natural Product ID:  NPC41429
Common Name:   (2S)-2-[[(2S,4S)-4,5-Diamino-2-Hydroxypentanoyl]Amino]-4-Methylpentanamide
IUPAC Name:   (2S)-2-[[(2S,4S)-4,5-diamino-2-hydroxypentanoyl]amino]-4-methylpentanamide
Synonyms:  
Molecular Formula:   C11H24N4O3
Standard InCHIKey:  VTJRQLJOIUWHBZ-CIUDSAMLSA-N
Standard InCHI:  InChI=1S/C11H24N4O3/c1-6(2)3-8(10(14)17)15-11(18)9(16)4-7(13)5-12/h6-9,16H,3-5,12-13H2,1-2H3,(H2,14,17)(H,15,18)/t7-,8-,9-/m0/s1
Canonical SMILES:  NC[C@H](C[C@@H](C(=N[C@H](C(=N)O)CC(C)C)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
NPO32453 Streptomyces sp. TC1 Species Streptomycetaceae Bacteria PMID[24387661]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 35500 nM 21036050
NPT1 Others Radical scavenging activity IC50 = 34700 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Activity = 3787.8 mmol/g 23369536
NPT2 Others Unspecified IC50 = 34600 nM 15568762
NPT1514 Uncleic Acid DNA Bos taurus Kb = 2.36 10'4/M 18675491
NPT2 Others Unspecified Activity = 4093.9 umol/kg 23398362
NPT2 Others Unspecified Activity = 11.9 mg/kg 16643023

  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 NPC41429 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
0.7164 Intermediate Similarity NPC314510
0.7051 Intermediate Similarity NPC314466
0.7042 Intermediate Similarity NPC195165
0.6984 Remote Similarity NPC137327
0.6883 Remote Similarity NPC37681
0.6774 Remote Similarity NPC80350
0.6757 Remote Similarity NPC477200
0.6716 Remote Similarity NPC472578
0.6712 Remote Similarity NPC472579
0.6667 Remote Similarity NPC224624
0.6618 Remote Similarity NPC321468
0.6618 Remote Similarity NPC327748
0.6613 Remote Similarity NPC180402
0.6613 Remote Similarity NPC87359
0.6579 Remote Similarity NPC476248
0.6571 Remote Similarity NPC145627
0.6522 Remote Similarity NPC327170
0.6522 Remote Similarity NPC329564
0.6479 Remote Similarity NPC313420
0.6406 Remote Similarity NPC321394
0.6406 Remote Similarity NPC326283
0.64 Remote Similarity NPC476285
0.6377 Remote Similarity NPC316826
0.6377 Remote Similarity NPC317143
0.6324 Remote Similarity NPC317147
0.6324 Remote Similarity NPC8979
0.6234 Remote Similarity NPC55274
0.6232 Remote Similarity NPC204709
0.6212 Remote Similarity NPC474322
0.6203 Remote Similarity NPC476130
0.6203 Remote Similarity NPC476324
0.6184 Remote Similarity NPC476291
0.6154 Remote Similarity NPC138435
0.6119 Remote Similarity NPC270041
0.6119 Remote Similarity NPC321118
0.6119 Remote Similarity NPC316889
0.6094 Remote Similarity NPC29222
0.6094 Remote Similarity NPC121062
0.6094 Remote Similarity NPC96966
0.6087 Remote Similarity NPC311668
0.6087 Remote Similarity NPC318260
0.6087 Remote Similarity NPC65832
0.6087 Remote Similarity NPC10262
0.6081 Remote Similarity NPC474402
0.6049 Remote Similarity NPC191774
0.6026 Remote Similarity NPC141325
0.6024 Remote Similarity NPC470783
0.5974 Remote Similarity NPC478256
0.5972 Remote Similarity NPC474014
0.5972 Remote Similarity NPC30126
0.5972 Remote Similarity NPC57846
0.597 Remote Similarity NPC123814
0.5926 Remote Similarity NPC472594
0.5915 Remote Similarity NPC143809
0.5915 Remote Similarity NPC254541
0.5915 Remote Similarity NPC76726
0.5915 Remote Similarity NPC193593
0.5915 Remote Similarity NPC320598
0.5915 Remote Similarity NPC476537
0.5915 Remote Similarity NPC321536
0.5915 Remote Similarity NPC216415
0.5915 Remote Similarity NPC290106
0.589 Remote Similarity NPC17455
0.5882 Remote Similarity NPC272396
0.5875 Remote Similarity NPC472595
0.5854 Remote Similarity NPC316242
0.5846 Remote Similarity NPC193872
0.5844 Remote Similarity NPC314273
0.5844 Remote Similarity NPC268922
0.5844 Remote Similarity NPC193280
0.5823 Remote Similarity NPC315897
0.5811 Remote Similarity NPC315744
0.5783 Remote Similarity NPC478017
0.5783 Remote Similarity NPC315535
0.5783 Remote Similarity NPC312315
0.5783 Remote Similarity NPC315131
0.5775 Remote Similarity NPC190385
0.5775 Remote Similarity NPC328447
0.5775 Remote Similarity NPC176164
0.5775 Remote Similarity NPC189301
0.5769 Remote Similarity NPC327753
0.5769 Remote Similarity NPC475694
0.5769 Remote Similarity NPC473710
0.5769 Remote Similarity NPC327486
0.5769 Remote Similarity NPC223174
0.5765 Remote Similarity NPC242077
0.5753 Remote Similarity NPC62507
0.5753 Remote Similarity NPC8087
0.575 Remote Similarity NPC43219
0.5747 Remote Similarity NPC476523
0.5747 Remote Similarity NPC477199
0.5733 Remote Similarity NPC474928
0.5714 Remote Similarity NPC38463
0.5714 Remote Similarity NPC471418
0.5696 Remote Similarity NPC476695
0.5696 Remote Similarity NPC476694
0.5696 Remote Similarity NPC476696
0.5679 Remote Similarity NPC86064
0.5676 Remote Similarity NPC150680
0.5676 Remote Similarity NPC69669
0.5676 Remote Similarity NPC2432
0.5676 Remote Similarity NPC22774
0.5676 Remote Similarity NPC218150
0.5676 Remote Similarity NPC306462
0.5667 Remote Similarity NPC275715
0.5663 Remote Similarity NPC325902
0.5658 Remote Similarity NPC286851
0.5658 Remote Similarity NPC315980
0.5658 Remote Similarity NPC303798
0.5658 Remote Similarity NPC470108
0.5657 Remote Similarity NPC128303
0.5638 Remote Similarity NPC330590
0.5616 Remote Similarity NPC143722
0.5616 Remote Similarity NPC471129
0.561 Remote Similarity NPC244539
0.561 Remote Similarity NPC477002
0.561 Remote Similarity NPC264417
0.561 Remote Similarity NPC217095
0.5604 Remote Similarity NPC477729
0.56 Remote Similarity NPC241394

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC41429 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
0.6857 Remote Similarity NPD1831 Phase 3
0.6667 Remote Similarity NPD3187 Discontinued
0.6452 Remote Similarity NPD379 Clinical (unspecified phase)
0.6429 Remote Similarity NPD9024 Phase 2
0.6429 Remote Similarity NPD9022 Phase 2
0.6406 Remote Similarity NPD9678 Approved
0.6406 Remote Similarity NPD9677 Phase 3
0.6349 Remote Similarity NPD362 Phase 1
0.6056 Remote Similarity NPD9239 Approved
0.6056 Remote Similarity NPD9240 Approved
0.6049 Remote Similarity NPD4278 Clinical (unspecified phase)
0.6 Remote Similarity NPD3733 Clinical (unspecified phase)
0.5974 Remote Similarity NPD2702 Phase 1
0.5974 Remote Similarity NPD2704 Phase 3
0.597 Remote Similarity NPD3215 Phase 1
0.5926 Remote Similarity NPD2689 Clinical (unspecified phase)
0.5909 Remote Similarity NPD3214 Discontinued
0.589 Remote Similarity NPD5375 Phase 3
0.5833 Remote Similarity NPD1155 Discontinued
0.5823 Remote Similarity NPD1147 Phase 2
0.5823 Remote Similarity NPD1825 Clinical (unspecified phase)
0.5806 Remote Similarity NPD7841 Clinical (unspecified phase)
0.5802 Remote Similarity NPD1453 Phase 1
0.5797 Remote Similarity NPD1830 Clinical (unspecified phase)
0.5789 Remote Similarity NPD1429 Clinical (unspecified phase)
0.5783 Remote Similarity NPD7918 Clinical (unspecified phase)
0.5783 Remote Similarity NPD7917 Clinical (unspecified phase)
0.5778 Remote Similarity NPD3716 Discontinued
0.5775 Remote Similarity NPD9023 Clinical (unspecified phase)
0.5775 Remote Similarity NPD9661 Approved
0.5775 Remote Similarity NPD9433 Approved
0.5769 Remote Similarity NPD9445 Approved
0.5765 Remote Similarity NPD9645 Approved
0.5765 Remote Similarity NPD9646 Approved
0.5765 Remote Similarity NPD9644 Approved
0.5758 Remote Similarity NPD5376 Approved
0.5747 Remote Similarity NPD9654 Phase 2
0.5745 Remote Similarity NPD6428 Approved
0.573 Remote Similarity NPD3177 Phase 3
0.5696 Remote Similarity NPD9446 Approved
0.5692 Remote Similarity NPD398 Approved
0.5692 Remote Similarity NPD400 Approved
0.5692 Remote Similarity NPD399 Approved
0.5676 Remote Similarity NPD9026 Phase 2
0.5676 Remote Similarity NPD9029 Phase 3
0.5676 Remote Similarity NPD9027 Phase 3
0.5676 Remote Similarity NPD9028 Phase 2
0.5672 Remote Similarity NPD903 Approved
0.5638 Remote Similarity NPD5381 Approved
0.5638 Remote Similarity NPD5378 Approved
0.5638 Remote Similarity NPD5377 Approved

Structure

External Identifiers

PubChem CID   76317397
ChEMBL   CHEMBL3104963
ZINC  

Physicochemical Properties

Molecular Weight:  260.18
ALogP:  -1.9358
MLogP:  1.9
XLogP:  -0.452
# Rotatable Bonds:  15
Polar Surface Area:  148.94
# H-Bond Aceptor:  7
# H-Bond Donor:  6
# Rings:  0
# Heavy Atoms:  18

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs