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Compound Detail

CHEMBL216796

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Basic Information

ChEMBL ID CHEMBL216796
Phase Preclinical
Structure Type MOL
InChI Key VDBCTDQYMZSQFQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

90.1
MW (Da)
-1.55
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C2H6N2O2
MW 90.08
Aromatic Rings 0
Heavy Atoms 6
NP-Likeness -0.21

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
27624080 10.1016/j.bmcl.2016.09.001 Large neutral amino acids transporter small subunit 1 3
17149882 10.1021/jm061058c Tyrosine-protein kinase CSK 2
19791805 10.1021/jm900775q Serine racemase 2
19791805 10.1021/jm900775q Unchecked 2
19320487 10.1021/jm801475n Unchecked 1

Data from ChEMBL 36 via Core Engine