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Compound Detail

CHEMBL1179548

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C=CCN(CC(=O)OCC)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179548
Phase Preclinical
Structure Type MOL
InChI Key PTCNGRBWQCYOSG-BMRADRMJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
3.17
ALogP
6
HBA
2
HBD
122.8
PSA (Ų)
0.14
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O5
MW 449.51
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine