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Compound Detail

CHEMBL3990543

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CNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CC4CCOCC4)c3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990543
Phase Preclinical
Structure Type MOL
InChI Key BZKQOMNNFFOFRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
4.29
ALogP
9
HBA
1
HBD
86.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N6O3
MW 502.62
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine