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Compound Detail

CHEMBL4161080

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

Basic Information

ChEMBL ID CHEMBL4161080
Phase Preclinical
Structure Type MOL
InChI Key SRAHCGWQJZZUBS-UTLKBRERSA-N
Parent Compound CHEMBL4300421
Active Moiety CHEMBL4300421
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
1.37
ALogP
3
HBA
4
HBD
91.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H26Cl2N4O
MW 349.31
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.06

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