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Compound Detail

CHEMBL1185849

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

Basic Information

ChEMBL ID CHEMBL1185849
Phase Preclinical
Structure Type MOL
InChI Key SMCQZJFACKZUDB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
1.60
ALogP
3
HBA
5
HBD
126.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H28N6O
MW 320.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine