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Compound Detail

CHEMBL1204547

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CCCCc1ncc(CO)n1Cc1ccc2c(ccn2-c2ccccc2C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204547
Phase Preclinical
Structure Type MOL
InChI Key OYCLBLHPLNHCNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.41
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O3
MW 403.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.93

Data from ChEMBL 36 via Core Engine