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Compound Detail

CHEMBL3917897

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O=C1NCC(c2ccccc2OCCN2CCOCC2)N1c1ccc2nc[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3917897
Phase Preclinical
Structure Type MOL
InChI Key XSPFROIVDYNUKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
2.54
ALogP
5
HBA
2
HBD
82.7
PSA (Ų)
0.66
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 C22H25N5O3
MW 407.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine