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Compound Detail

CHEMBL4172371

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

Basic Information

ChEMBL ID CHEMBL4172371
Phase Preclinical
Structure Type MOL
InChI Key FVNBQVXNTKYIHB-UTLKBRERSA-N
Parent Compound CHEMBL4301003
Active Moiety CHEMBL4301003
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
1.47
ALogP
4
HBA
4
HBD
91.0
PSA (Ų)
0.43
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 C15H26Cl2N4OS
MW 381.37
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.25

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