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Compound Detail

CHEMBL2028141

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CCc1ccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCOCC3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2028141
Phase Preclinical
Structure Type MOL
InChI Key OMEFOUCHAGLZRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.77
ALogP
8
HBA
2
HBD
84.4
PSA (Ų)
0.61
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 C22H26N6O2
MW 406.49
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.55

Data from ChEMBL 36 via Core Engine