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Compound Detail

CHEMBL1193909

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COc1cc2nc(N(C)CCOc3c(OC)cccc3OC)nc(N)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193909
Phase Preclinical
Structure Type MOL
InChI Key QAVRCARLUHLORT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
2.76
ALogP
9
HBA
1
HBD
101.2
PSA (Ų)
0.57
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 C21H26N4O5
MW 414.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine