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Compound Detail

CHEMBL1187175

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N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)N1CCn2cnnc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187175
Phase Preclinical
Structure Type MOL
InChI Key LOMDPCHZUPJJSI-RYUDHWBXSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
-0.76
ALogP
7
HBA
1
HBD
121.1
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 C15H21N7O2
MW 331.38
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.04

Pharmacokinetic Data

Parameter Value Units Species
T1/2 24.0 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
34428715 10.1016/j.bmc.2021.116354 Unchecked 1
34428715 10.1016/j.bmc.2021.116354 ADMET 1

Data from ChEMBL 36 via Core Engine