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Compound Detail

CHEMBL1192164

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COc1cc(-c2c(C(N)=O)n(-c3ccc(N)cc3)c(=O)c3cc(OCc4ccccn4)ccc23)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1192164
Phase Preclinical
Structure Type MOL
InChI Key KEYQJEZYWZPGSV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

552.6
MW (Da)
4.34
ALogP
9
HBA
2
HBD
140.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28N4O6
MW 552.59
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine