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Compound Detail

CHEMBL5434286

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

Basic Information

ChEMBL ID CHEMBL5434286
Phase Preclinical
Structure Type MOL
InChI Key IFWSVXVDMUDJJS-ZETCQYMHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
-1.64
ALogP
5
HBA
6
HBD
132.5
PSA (Ų)
0.10
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H21N5O3
MW 247.30
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.05

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36063653 10.1016/j.bmc.2022.116970 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 1

Data from ChEMBL 36 via Core Engine