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Compound Detail

CHEMBL4802961

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CCCCCCCCCCn1cc(-c2noc([C@@H]3CCCN3C(=N)N)n2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802961
Phase Preclinical
Structure Type MOL
InChI Key YBIFJXXFRNSEFA-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
5.86
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N6O
MW 436.60
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.05

Data from ChEMBL 36 via Core Engine