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Compound Detail

CHEMBL3546364

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CC(=O)NCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546364
Phase Preclinical
Structure Type MOL
InChI Key NBYGAGVGVRHCHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.9
MW (Da)
3.48
ALogP
6
HBA
3
HBD
91.8
PSA (Ų)
0.54
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 C19H19ClN6O
MW 382.86
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.54

Data from ChEMBL 36 via Core Engine