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Compound Detail

CHEMBL356581

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COc1cccc(C(=O)NCCN2CCN(Cc3ccccc3OC)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL356581
Phase Preclinical
Structure Type MOL
InChI Key ABYRPLMGIMQPHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
2.25
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.76
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 C22H29N3O3
MW 383.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.48

Data from ChEMBL 36 via Core Engine