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Compound Detail

CHEMBL1179549

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

Basic Information

ChEMBL ID CHEMBL1179549
Phase Preclinical
Structure Type MOL
InChI Key YZNRBKWDIOXEAU-FYWRMAATSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
2.69
ALogP
5
HBA
3
HBD
133.8
PSA (Ų)
0.14
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O5
MW 421.45
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine