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Compound Detail

CHEMBL1189452

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Nc1nc(N)nc(NCCCNC2CCC(NCCCNc3nc(N)nc(N)n3)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189452
Phase Preclinical
Structure Type MOL
InChI Key BBIGXTPNTICTEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
-0.82
ALogP
14
HBA
8
HBD
229.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H34N14
MW 446.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine