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Compound Detail

CHEMBL1191180

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O=C(O)c1cn(C[C@H]2CC[C@H]3CN[C@H](C(=O)O)C[C@H]3C2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191180
Phase Preclinical
Structure Type MOL
InChI Key CQEYRNLQNUBIGU-YFKTTZPYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
1.06
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O4
MW 307.35
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.43

Data from ChEMBL 36 via Core Engine