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Compound Detail

CHEMBL1193213

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CN(C)c1nc(N)nc(NCCCNCCCCCCCCCCCCNCCCNc2nc(N)nc(N(C)C)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193213
Phase Preclinical
Structure Type MOL
InChI Key MCMRVBVOEADSFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

588.9
MW (Da)
2.74
ALogP
14
HBA
6
HBD
184.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H56N14
MW 588.85
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine