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Compound Detail

CHEMBL1180178

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CCCN(Cc1cc(CN(CCC)C(=N)N)cc(OC)c1)C(=N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180178
Phase Preclinical
Structure Type MOL
InChI Key CJRQMPXQCQEMTM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
1.91
ALogP
3
HBA
4
HBD
115.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H30N6O
MW 334.47
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine