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Compound Detail

CHEMBL1927039

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N#Cc1ccc(Nc2nccc(NC3CC3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1927039
Phase Preclinical
Structure Type MOL
InChI Key TWMRGRJGIHFSRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
6
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
2.67
ALogP
5
HBA
2
HBD
73.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N5
MW 251.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.84

Pharmacokinetic Data

Parameter Value Units Species
CL 45.0 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
22037050 10.1016/j.bmc.2011.10.002 Human immunodeficiency virus 1 2
22037050 10.1016/j.bmc.2011.10.002 Human immunodeficiency virus 2 1
22037050 10.1016/j.bmc.2011.10.002 MT4 1
22037050 10.1016/j.bmc.2011.10.002 Unchecked 1
- 10.6019/CHEMBL3301361 No relevant target 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine