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Compound Detail

CHEMBL522857

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CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC3CCNCC3)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522857
Phase Preclinical
Structure Type MOL
InChI Key OEMAOMXEFJMDSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
1.34
ALogP
10
HBA
3
HBD
137.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N7O3
MW 411.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.58

Data from ChEMBL 36 via Core Engine