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Compound Detail

CHEMBL1196229

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CC(=N)N1CCC(Oc2ccc(OCc3nc4cc(C(=N)N)ccc4n3CC(=O)N3CCCCC3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196229
Phase Preclinical
Structure Type MOL
InChI Key OOWDXRYSAMPFPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

531.7
MW (Da)
3.75
ALogP
7
HBA
3
HBD
133.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37N7O3
MW 531.66
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine