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Compound Detail

CHEMBL1962788

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O=c1c2c3n(c(=O)cc2[nH]n1-c1ccccc1Cl)CCCN(Cc1ccccc1)C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962788
Phase Preclinical
Structure Type MOL
InChI Key DISVMXDWAMMVLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.9
MW (Da)
3.54
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClN4O2
MW 420.90
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.19

Pharmacokinetic Data

Parameter Value Units Species
CL 32.36 mL.min-1.g-1 Homo sapiens
CL 3.0 uL.min-1.(10^6cells)-1 Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 ADMET 2

Data from ChEMBL 36 via Core Engine