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Compound Detail

CHEMBL1188509

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COc1ccc(CCNCC(O)COc2ccc(-c3nccn3C)cc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188509
Phase Preclinical
Structure Type MOL
InChI Key KSCDHELJWUZESV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
2.68
ALogP
7
HBA
2
HBD
77.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N3O4
MW 411.50
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine