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Compound Detail

CHEMBL5594374

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C[C@@H](Oc1ccc2[nH]nc(-c3ccc(Cl)nc3)c2c1)c1c(Cl)cncc1Cl

Basic Information

ChEMBL ID CHEMBL5594374
Phase Preclinical
Structure Type MOL
InChI Key UKDOWXSLSIGSNR-SNVBAGLBSA-N
2
Targets
5
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

419.7
MW (Da)
6.12
ALogP
4
HBA
1
HBD
63.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13Cl3N4O
MW 419.70
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.12

Activity Summary

IC50 5 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.96 6.2375 110.0 4
TEL/KDR
CHEMBL4630759
IC50 6.06 6.06 864.0 1

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39258897 10.1021/acs.jmedchem.4c01531 Unchecked 5
39258897 10.1021/acs.jmedchem.4c01531 TEL/KDR 1
39258897 10.1021/acs.jmedchem.4c01531 ADMET 1

Data from ChEMBL 36 via Core Engine