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Compound Detail

CHEMBL91337

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C=CCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)ncc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91337
Phase Preclinical
Structure Type MOL
InChI Key QZOGFSQINGHROT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.52
ALogP
7
HBA
2
HBD
120.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N7O2
MW 427.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.06

Data from ChEMBL 36 via Core Engine