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Compound Detail

CHEMBL102053

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CC(=N)N1CC[C@@H](C[C@H](N)C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102053
Phase Preclinical
Structure Type MOL
InChI Key VWIKYYSVWWGXTK-YUMQZZPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
0.11
ALogP
3
HBA
3
HBD
90.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H17N3O2
MW 199.25
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
9873655 10.1016/s0960-894x(98)00532-0 Nitric oxide synthase, inducible 1

Data from ChEMBL 36 via Core Engine