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Compound Detail

CHEMBL3304668

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CCCNC(=N)Nc1ccc(NCC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3304668
Phase Preclinical
Structure Type MOL
InChI Key KQMSEKREKBVUSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
2.46
ALogP
2
HBA
4
HBD
59.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H20N4
MW 220.32
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine