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Compound Detail

CHEMBL212301

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N=C(N)NCCC[C@@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212301
Phase Preclinical
Structure Type MOL
InChI Key ODKSFYDXXFIFQN-SCSAIBSYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
6
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
-1.34
ALogP
3
HBA
5
HBD
125.2
PSA (Ų)
0.20
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H14N4O2
MW 174.20
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.02

Pharmacokinetic Data

Parameter Value Units Species
AUC 2470.16 ng.hr.mL-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
16884294 10.1021/jm060005s GH3 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
16884294 10.1021/jm060005s AEC 1
25922884 10.1021/acs.jnatprod.5b00092 Angiotensin-converting enzyme 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine