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Compound Detail

CHEMBL91953

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CCc1ncc(C(=O)O)c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91953
Phase Preclinical
Structure Type MOL
InChI Key PCTLUOBDKJQZGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
3.20
ALogP
7
HBA
3
HBD
129.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N7O2
MW 401.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine