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Compound Detail

CHEMBL102892

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c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102892
Phase Preclinical
Structure Type MOL
InChI Key CMKNFFUUKQPJOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
6.07
ALogP
2
HBA
3
HBD
56.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4
MW 396.54
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine