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Compound Detail

CHEMBL1178366

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COc1ccccc1N1CCN(CCCCNC(=O)c2cccn2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178366
Phase Preclinical
Structure Type MOL
InChI Key XHLOXZYQANKFHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
2.37
ALogP
5
HBA
1
HBD
49.7
PSA (Ų)
0.73
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 C21H30N4O2
MW 370.50
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.66

Data from ChEMBL 36 via Core Engine