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Compound Detail

CHEMBL1178979

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CNc1nc(-c2ccccc2)nc2c1ncn2Cc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178979
Phase Preclinical
Structure Type MOL
InChI Key LJBLMWUZJMRBCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.72
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16FN5
MW 333.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.62

Data from ChEMBL 36 via Core Engine