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Compound Detail

CHEMBL72860

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O=C(NCC1=NCCN1)C(c1ccccc1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72860
Phase Preclinical
Structure Type MOL
InChI Key TYOYJHUMVXBIKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
2.47
ALogP
3
HBA
2
HBD
53.5
PSA (Ų)
0.88
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 C18H25N3O
MW 299.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.65

Data from ChEMBL 36 via Core Engine