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Compound Detail

CHEMBL3717788

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COCC#Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3717788
Phase Preclinical
Structure Type MOL
InChI Key FLMDGOYDDLWLNN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.56
ALogP
7
HBA
2
HBD
105.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O3
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine