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Compound Detail

CHEMBL4302156

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O=C(NCCN1CCN(c2cccc3ccccc23)CC1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302156
Phase Preclinical
Structure Type MOL
InChI Key IQZOHWITPJCCGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
2.79
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.76
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 C22H24N4O
MW 360.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.67

Data from ChEMBL 36 via Core Engine