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Compound Detail

CHEMBL1195221

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COc1cc(CCC(=O)N2CCN(C(C#N)c3cccnc3)CC2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195221
Phase Preclinical
Structure Type MOL
InChI Key DLXPZNFSYVMESM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
2.45
ALogP
7
HBA
0
HBD
87.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O4
MW 424.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.95

Data from ChEMBL 36 via Core Engine