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Compound Detail

CHEMBL215604

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c1cn2ccnc2c(N2CCN(C3CCCC3)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL215604
Phase Preclinical
Structure Type MOL
InChI Key SGHJRXOVINZLSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
1.79
ALogP
5
HBA
0
HBD
36.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N5
MW 271.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.38

Pharmacokinetic Data

Parameter Value Units Species
T1/2 2.0 hr Homo sapiens
T1/2 2.0 hr -

Literature References

PubMed DOI Target Context # Activities
16814547 10.1016/j.bmcl.2006.05.042 PBL 1
16814547 10.1016/j.bmcl.2006.05.042 Liver microsomes 1
16814547 10.1016/j.bmcl.2006.05.042 ADMET 1

Data from ChEMBL 36 via Core Engine