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Compound Detail

CHEMBL109384

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O=C(O)[C@@H]1Cc2c(ncn2CC2CCCCC2)CN1C(=O)C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109384
Phase Preclinical
Structure Type MOL
InChI Key CGFDMSLBXIMNIR-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
4.63
ALogP
4
HBA
1
HBD
75.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N3O3
MW 457.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine