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Compound Detail

CHEMBL4537983

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Cc1ccc(C)n1-c1cc(C(=O)N2CCN(c3cccc(C(=O)O)c3)CC2)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4537983
Phase Preclinical
Structure Type MOL
InChI Key AINRCWWZTPWHCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
3.45
ALogP
5
HBA
2
HBD
103.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N3O5
MW 447.49
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.22

Data from ChEMBL 36 via Core Engine