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Compound Detail

CHEMBL359051

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COc1cccc(C(=O)NCCN2CCN(Cc3ccc(Cl)cc3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359051
Phase Preclinical
Structure Type MOL
InChI Key IRLZMSTUVKZQRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.9
MW (Da)
2.90
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN3O2
MW 387.91
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.67

Data from ChEMBL 36 via Core Engine