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Compound Detail

CHEMBL3715946

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C#Cc1cc(Oc2cnc(NC3CCOCC3)nc2N)c(C(C)C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3715946
Phase Preclinical
Structure Type MOL
InChI Key RKHUMNABQMLNNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
3.56
ALogP
7
HBA
2
HBD
91.5
PSA (Ų)
0.74
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 C21H26N4O3
MW 382.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine