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Compound Detail

CHEMBL3942419

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Cc1c(Br)c(=O)n(C2CCCC2)c2nc(NC3CCCCN3c3cccnc3)ncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3942419
Phase Preclinical
Structure Type MOL
InChI Key DQSONUYTLIBYOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
4.80
ALogP
7
HBA
1
HBD
75.9
PSA (Ų)
0.57
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 C23H27BrN6O
MW 483.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine