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Compound Detail

CHEMBL4163633

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CC(=N)NCc1cccc(CNC(=O)[C@@H](N)Cc2ccc(O)cc2)c1.Cl.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163633
Phase Preclinical
Structure Type MOL
InChI Key OOQNOBCRTYFLII-NTEVMMBTSA-N
Parent Compound CHEMBL4301869
Active Moiety CHEMBL4301869
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
1.67
ALogP
4
HBA
5
HBD
111.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26Cl2N4O2
MW 413.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
29689474 10.1016/j.ejmech.2018.04.027 Nitric oxide synthase 3 1
29689474 10.1016/j.ejmech.2018.04.027 Nitric oxide synthase, inducible 1

Data from ChEMBL 36 via Core Engine