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Compound Detail

CHEMBL34872

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Cl.Cl.Cl.Cn1nnc2c(C(=O)NCCCN(CCCN)CCCCN)ncn2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34872
Phase Preclinical
Structure Type MOL
InChI Key MJIAKHRLLKPFFZ-UHFFFAOYSA-N
Parent Compound CHEMBL1178618
Active Moiety CHEMBL1178618
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
-1.67
ALogP
10
HBA
3
HBD
149.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H32Cl3N9O2
MW 488.85
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
7739008 10.1021/jm00009a010 GM892A cell line 1
7739008 10.1021/jm00009a010 Raji 1

Data from ChEMBL 36 via Core Engine