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Compound Detail

CHEMBL4171037

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

Basic Information

ChEMBL ID CHEMBL4171037
Phase Preclinical
Structure Type MOL
InChI Key AMPBKBPXEOLWSW-GXKRWWSZSA-N
Parent Compound CHEMBL4300516
Active Moiety CHEMBL4300516
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
-0.02
ALogP
4
HBA
5
HBD
134.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25Cl2N5O2
MW 378.30
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.03

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