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Compound Detail

CHEMBL533517

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C=CCc1cc(OC)ccc1OCCCOc1c(C)nc(N)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL533517
Phase Preclinical
Structure Type MOL
InChI Key NGMXNIOGRIWTTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
2.53
ALogP
7
HBA
2
HBD
105.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N4O3
MW 344.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine