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Compound Detail

CHEMBL1499751

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Cn1ccnc1C(O)c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1499751
Phase Preclinical
Structure Type MOL
InChI Key XTNATPAXGXBWRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
1.09
ALogP
4
HBA
1
HBD
51.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N2O2
MW 178.19
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.45

Data from ChEMBL 36 via Core Engine