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Compound Detail

CHEMBL1205758

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CCCCc1nc(C)c(C(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205758
Phase Preclinical
Structure Type MOL
InChI Key DDDKNWUZYAJDHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
4.48
ALogP
6
HBA
1
HBD
98.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N2O5
MW 448.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine