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Compound Detail

CHEMBL325566

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CC1Cn2c(N=C(N)N)nc3cc(Cl)cc(c32)CN1CC1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325566
Phase Preclinical
Structure Type MOL
InChI Key CJHRVDIZIMGJJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.8
MW (Da)
2.21
ALogP
4
HBA
2
HBD
85.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21ClN6
MW 332.84
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
1956037 10.1021/jm00115a007 MT4 1

Data from ChEMBL 36 via Core Engine