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Compound Detail

CHEMBL210206

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O=C(CCc1cnc2c(N3CCN(c4ncccn4)CC3)nccn12)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210206
Phase Preclinical
Structure Type MOL
InChI Key CMFGSXTWOQIABL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
0.64
ALogP
9
HBA
0
HBD
92.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N8O2
MW 422.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.71

Pharmacokinetic Data

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

Literature References

PubMed DOI Target Context # Activities
16814547 10.1016/j.bmcl.2006.05.042 ADMET 2
16814547 10.1016/j.bmcl.2006.05.042 PBL 1

Data from ChEMBL 36 via Core Engine