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Compound Detail

CHEMBL1299736

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Cc1ccccc1-c1nc(CN2CCCC(C(=O)NCCCN3CCOCC3)C2)c(C)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1299736
Phase Preclinical
Structure Type MOL
InChI Key SITTZQIIZMJXSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.01
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N4O3
MW 440.59
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -2.01

Data from ChEMBL 36 via Core Engine