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Compound Detail

CHEMBL3718338

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C#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OCc1cccc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3718338
Phase Preclinical
Structure Type MOL
InChI Key AVEWHGMJDIGQCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
4.26
ALogP
6
HBA
2
HBD
96.3
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 C22H21FN4O2
MW 392.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine