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Compound Detail

CHEMBL1179830

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N=C(N)c1cccc(C[C@H]2C(=O)O[C@H]3CCC[C@@H]32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179830
Phase Preclinical
Structure Type MOL
InChI Key ZWVDMTZPWFZXOO-UPJWGTAASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
1.85
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O2
MW 258.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.86

Data from ChEMBL 36 via Core Engine