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Compound Detail

CHEMBL4742824

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

Basic Information

ChEMBL ID CHEMBL4742824
Phase Preclinical
Structure Type MOL
InChI Key HJHFGSGZOVEOQX-JEDNCBNOSA-N
Parent Compound CHEMBL303296
Active Moiety CHEMBL303296
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

146.2
MW (Da)
-0.13
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H15ClN2O2
MW 182.65
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.43

Literature References

PubMed DOI Target Context # Activities
27624080 10.1016/j.bmcl.2016.09.001 Large neutral amino acids transporter small subunit 1 3
27624080 10.1016/j.bmcl.2016.09.001 Unchecked 3

Data from ChEMBL 36 via Core Engine