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Compound Detail

CHEMBL1184081

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CC(C)(C)c1cc(-c2noc(N=C(N)N)n2)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184081
Phase Preclinical
Structure Type MOL
InChI Key KKGAKBCTJAISND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.94
ALogP
5
HBA
3
HBD
123.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N5O2
MW 331.42
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine