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Compound Detail

CHEMBL2220075

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COc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc2c3cc(C(=O)O)ccc3n(C)c(=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220075
Phase Preclinical
Structure Type MOL
InChI Key XQQIFCBLDVYIEP-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
2.57
ALogP
8
HBA
2
HBD
115.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N5O4
MW 461.52
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine