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Compound Detail

CHEMBL1195412

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CC(NCC(=O)N1CCN(C(C#N)c2cccnc2)CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195412
Phase Preclinical
Structure Type MOL
InChI Key SDBWUNQKMGBEBA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.14
ALogP
5
HBA
1
HBD
72.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O
MW 363.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.64

Data from ChEMBL 36 via Core Engine