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Compound Detail

CHEMBL2220906

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CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220906
Phase Preclinical
Structure Type MOL
InChI Key FBLAGFCQEJQIFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
2.39
ALogP
6
HBA
1
HBD
62.6
PSA (Ų)
0.76
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 C23H35N5O2
MW 413.57
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.49

Data from ChEMBL 36 via Core Engine