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Compound Detail

CHEMBL1199724

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COc1ccccc1N1CCN(CCc2ccc(C(=O)C(=O)N3CCCCC3)n2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199724
Phase Preclinical
Structure Type MOL
InChI Key MQEMNNSHSPSDOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
2.59
ALogP
6
HBA
0
HBD
58.0
PSA (Ų)
0.49
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 C25H34N4O3
MW 438.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.23

Data from ChEMBL 36 via Core Engine