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Compound Detail

CHEMBL4803341

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Cc1ccc(C)c(NCCCON2C(N)=NC(N)=NC2(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803341
Phase Preclinical
Structure Type MOL
InChI Key IGEJOZILRYDWDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
1.72
ALogP
7
HBA
3
HBD
101.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H26N6O
MW 318.43
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine