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Compound Detail

CHEMBL2132231

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CCOC(=O)CC1CCCCN1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2132231
Phase Preclinical
Structure Type MOL
InChI Key JACKCUAJJZMUJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
3.17
ALogP
7
HBA
0
HBD
65.8
PSA (Ų)
0.70
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 C22H29N3O4
MW 399.49
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine