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Compound Detail

CHEMBL90865

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CCCc1ncc(C(=O)O)c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90865
Phase Preclinical
Structure Type MOL
InChI Key RPOYAAGHAQAESE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
3.59
ALogP
7
HBA
3
HBD
129.6
PSA (Ų)
0.40
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 C22H21N7O2
MW 415.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine