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Compound Detail

CHEMBL4302176

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O=C1c2cccc3cccc(c23)C(=O)N1CCNCCCCCCNCCN1C(=O)c2cccc3cccc(c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302176
Phase Preclinical
Structure Type MOL
InChI Key HCTBTBSXKIQGHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

562.7
MW (Da)
4.62
ALogP
6
HBA
2
HBD
98.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H34N4O4
MW 562.67
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine