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Compound Detail

CHEMBL2440744

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CCOC(=O)c1cccc(-c2cc(C(=O)Nc3ccncc3)ccc2CN)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2440744
Phase Preclinical
Structure Type MOL
InChI Key ZGXWJKLBIVLUOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.64
ALogP
5
HBA
2
HBD
94.3
PSA (Ų)
0.64
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 C22H21N3O3
MW 375.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.03

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.6833 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
24119557 10.1016/j.bmcl.2013.09.040 No relevant target 1
24119557 10.1016/j.bmcl.2013.09.040 Plasma 1
24119557 10.1016/j.bmcl.2013.09.040 Unchecked 1
24119557 10.1016/j.bmcl.2013.09.040 Rho-associated protein kinase 2 1

Data from ChEMBL 36 via Core Engine