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Compound Detail

CHEMBL1191644

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N/C=N/C)cccc3nc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191644
Phase Preclinical
Structure Type MOL
InChI Key XJLYYURWRMAJNS-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
2.15
ALogP
7
HBA
2
HBD
105.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O4
MW 404.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.67

Data from ChEMBL 36 via Core Engine