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Compound Detail

CHEMBL5500089

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O=C1c2c(O)ccc(O)c2C(=O)C2C(NCCNCCO)=CC=C(NCCNCCO)C12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5500089
Phase Preclinical
Structure Type MOL
InChI Key BIVQCGYKQAFKHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
-1.17
ALogP
10
HBA
8
HBD
163.2
PSA (Ų)
0.15
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N4O6
MW 446.50
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.49

Data from ChEMBL 36 via Core Engine