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Compound Detail

CHEMBL2220450

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COC(=O)CCC1CNc2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220450
Phase Preclinical
Structure Type MOL
InChI Key IWWFCVKNVCHFAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
3.79
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.76
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 C21H24N2O5
MW 384.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine