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Compound Detail

CHEMBL1196984

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CC1CN(CCCCn2cnc3c(O)nc(Nc4ccccc4)nc32)CC(C)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196984
Phase Preclinical
Structure Type MOL
InChI Key SIEXHGADVYZANN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
2.74
ALogP
8
HBA
3
HBD
91.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N7O
MW 395.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.08

Data from ChEMBL 36 via Core Engine