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Compound Detail

CHEMBL5500248

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CCc1nc(N)nc(N)c1Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5500248
Phase Preclinical
Structure Type MOL
InChI Key BXUVNXVYAMXINP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.25
ALogP
6
HBA
2
HBD
104.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O2
MW 362.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine