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Compound Detail

CHEMBL4757756

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CONC(=O)[C@@H](N)CC(C)C.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4757756
Phase Preclinical
Structure Type MOL
InChI Key GZVBYUHPFCQAAY-RGMNGODLSA-N
Parent Compound CHEMBL4803004
Active Moiety CHEMBL4803004
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

160.2
MW (Da)
0.04
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H17ClN2O2
MW 196.68
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
27624080 10.1016/j.bmcl.2016.09.001 Large neutral amino acids transporter small subunit 1 2
27624080 10.1016/j.bmcl.2016.09.001 Unchecked 2

Data from ChEMBL 36 via Core Engine