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Compound Detail

CHEMBL3717126

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COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#CCCCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3717126
Phase Preclinical
Structure Type MOL
InChI Key OJGJBOPJCGBLRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
2.69
ALogP
7
HBA
3
HBD
116.5
PSA (Ų)
0.54
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 C19H24N4O3
MW 356.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.28

Data from ChEMBL 36 via Core Engine