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Compound Detail

CHEMBL540328

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CCCCn1c(=O)c2ncn(C)c2c2cc(OC)c(OC)cc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL540328
Phase Preclinical
Structure Type MOL
InChI Key NJAIHFOUMAJMCV-UHFFFAOYSA-N
Parent Compound CHEMBL1190187
Active Moiety CHEMBL1190187
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.71
ALogP
6
HBA
0
HBD
58.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22ClN3O3
MW 351.83
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
1331454 10.1021/jm00100a009 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine