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Compound Detail

CHEMBL4782203

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CCn1c(C(N)=O)cc2c1-c1ccncc1OC21CCCCC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4782203
Phase Preclinical
Structure Type MOL
InChI Key VKWFQVVSOWLJKL-UHFFFAOYSA-N
Parent Compound CHEMBL4777356
Active Moiety CHEMBL4777356
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.22
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22ClN3O2
MW 347.85
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine