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Compound Detail

CHEMBL3718952

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CC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3718952
Phase Preclinical
Structure Type MOL
InChI Key HKQJMODABOUSCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
3.07
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.85
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 C16H17FN4O
MW 300.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine