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Compound Detail

CHEMBL1196920

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CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=O)CN)cccc3nc2-1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196920
Phase Preclinical
Structure Type MOL
InChI Key DTOULAIVSVXJDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
0.98
ALogP
8
HBA
3
HBD
136.5
PSA (Ų)
0.42
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 C22H20N4O5
MW 420.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.41

Data from ChEMBL 36 via Core Engine