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Compound Detail

CHEMBL1195207

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(/N=C/N(C)C)ccc3nc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195207
Phase Preclinical
Structure Type MOL
InChI Key RAHIZZTXZJVZEQ-JJDHCWFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
2.30
ALogP
7
HBA
1
HBD
97.0
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 C23H22N4O4
MW 418.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.54

Data from ChEMBL 36 via Core Engine