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Compound Detail

CHEMBL1182220

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CCN(CCCCCC(=O)Nc1ccc(CCc2ccc(NC(=O)CCCCCN(CC)Cc3ccccc3OC)cc2)cc1)Cc1ccccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182220
Phase Preclinical
Structure Type MOL
InChI Key JTSFQHSYCFLAHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

735.0
MW (Da)
9.53
ALogP
6
HBA
2
HBD
83.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H62N4O4
MW 735.03
Aromatic Rings 4
Heavy Atoms 54
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine