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Compound Detail

CHEMBL5888904

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COc1c(C(C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C)c1C1CN(CC2CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5888904
Phase Preclinical
Structure Type MOL
InChI Key OUELJXRVIBGBSC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

441.0
MW (Da)
4.11
ALogP
7
HBA
1
HBD
82.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29ClN6O
MW 440.98
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine