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Compound Detail

CHEMBL4804121

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CC1(C)N=C(N)N=C(N)N1OCCCN(Cc1ccccc1)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804121
Phase Preclinical
Structure Type MOL
InChI Key JNKKUGBDUQNNCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
2.69
ALogP
7
HBA
2
HBD
92.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N6O
MW 394.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine