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Compound Detail

CHEMBL4302688

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O=C1c2cccc3cccc(c23)C(=O)N1CCNCCNCCNCCN1C(=O)c2cccc3cccc(c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302688
Phase Preclinical
Structure Type MOL
InChI Key QHRQACSXSOAVLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

549.6
MW (Da)
2.65
ALogP
7
HBA
3
HBD
110.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31N5O4
MW 549.63
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine