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Compound Detail

CHEMBL2221064

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CCCCN(C)C(=O)Oc1ccc2c(c1)NCC2CCC(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221064
Phase Preclinical
Structure Type MOL
InChI Key KKHIJNDUMQRAJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.38
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N2O4
MW 334.42
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.19

Data from ChEMBL 36 via Core Engine