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Compound Detail

CHEMBL3547049

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c1ccc(C2CC3(N4CCCCC4)CNCC2C(c2ccccc2)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547049
Phase Preclinical
Structure Type MOL
InChI Key RDCZXFZEGOCFKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.6
MW (Da)
4.79
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N2
MW 360.55
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine