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Compound Detail

CHEMBL131931

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C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131931
Phase Preclinical
Structure Type MOL
InChI Key KMLCHDCGLOPJCG-WHFBIAKZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
-2.77
ALogP
5
HBA
5
HBD
150.6
PSA (Ų)
0.20
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H16N4O5
MW 260.25
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.47

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11931613 10.1021/jm011039x Thermolysin 1
12213058 10.1021/jm020808p Glycogen phosphorylase, brain form 1

Data from ChEMBL 36 via Core Engine