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Compound Detail

CHEMBL4301656

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Cc1nc2c(C(=O)NCC(=O)O)c(O)cc(CCc3ccccc3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301656
Phase Preclinical
Structure Type MOL
InChI Key WQNQCTOLFZJKGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
1.34
ALogP
6
HBA
3
HBD
116.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O4
MW 354.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine