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Compound Detail

CHEMBL553974

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Cc1cc(C)n(C(=N)N)n1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553974
Phase Preclinical
Structure Type MOL
InChI Key UOLOESWKXGHYCY-UHFFFAOYSA-N
Parent Compound CHEMBL451397
Active Moiety CHEMBL451397
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

138.2
MW (Da)
0.24
ALogP
3
HBA
2
HBD
67.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H11ClN4
MW 174.63
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.64

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
11133088 10.1016/s0960-894x(00)00573-4 Unchecked 2
11133088 10.1016/s0960-894x(00)00573-4 Nitric oxide synthase 1 1
11133088 10.1016/s0960-894x(00)00573-4 Nitric oxide synthase, inducible 1
11133088 10.1016/s0960-894x(00)00573-4 Nitric oxide synthase 3 1

Data from ChEMBL 36 via Core Engine