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Compound Detail

CHEMBL1179894

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CCC(C)c1ccc(N2CCN=C2Nc2cccc(C(C)CC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179894
Phase Preclinical
Structure Type MOL
InChI Key FYFHYQJTBQKHON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
6.00
ALogP
3
HBA
1
HBD
27.6
PSA (Ų)
0.69
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3
MW 349.52
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine