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Compound Detail

CHEMBL174698

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Cc1cn(C2C=CC(COC(=O)CN3CCNCC3)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174698
Phase Preclinical
Structure Type MOL
InChI Key SJCVWWVLVUFLQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
-1.25
ALogP
8
HBA
2
HBD
105.7
PSA (Ų)
0.50
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 C16H22N4O5
MW 350.38
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.02

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.3333 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
14980640 10.1016/j.bmcl.2004.01.007 CCRF-CEM 2
14980640 10.1016/j.bmcl.2004.01.007 Unchecked 1
14980640 10.1016/j.bmcl.2004.01.007 Mycobacterium tuberculosis 1
14980640 10.1016/j.bmcl.2004.01.007 ADMET 1

Data from ChEMBL 36 via Core Engine