N-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide

ID: ALA3955987

Chembl Id: CHEMBL3955987

PubChem CID: 134144754

Max Phase: Preclinical

Molecular Formula: C27H30FN7O2

Molecular Weight: 503.58

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Cn1nccc1-c1ccn2c(C(=O)Nc3cc(C(=O)NCCN4CCCC4(C)C)ccc3F)cnc2c1

Standard InChI:  InChI=1S/C27H30FN7O2/c1-27(2)9-4-12-34(27)14-11-29-25(36)19-5-6-20(28)21(15-19)32-26(37)23-17-30-24-16-18(8-13-35(23)24)22-7-10-31-33(22)3/h5-8,10,13,15-17H,4,9,11-12,14H2,1-3H3,(H,29,36)(H,32,37)

Standard InChI Key:  CSGNPNHEJZNSCM-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA3955987

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Associated Targets(Human)

PDGFRA Tclin Platelet-derived growth factor receptor alpha (5682 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Pdgfrb Platelet-derived growth factor receptor beta (40 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 503.58Molecular Weight (Monoisotopic): 503.2445AlogP: 3.73#Rotatable Bonds: 7
Polar Surface Area: 96.56Molecular Species: BASEHBA: 7HBD: 2
#RO5 Violations: 1HBA (Lipinski): 9HBD (Lipinski): 2#RO5 Violations (Lipinski): 1
CX Acidic pKa: 13.80CX Basic pKa: 8.87CX LogP: 2.11CX LogD: 0.63
Aromatic Rings: 4Heavy Atoms: 37QED Weighted: 0.40Np Likeness Score: -1.75

References

1. Shaw DE, Baig F, Bruce I, Chamoin S, Collingwood SP, Cross S, Dayal S, Drückes P, Furet P, Furminger V, Haggart D, Hussey M, Konstantinova I, Loren JC, Molteni V, Roberts S, Reilly J, Saunders AM, Stringer R, Sviridenko L, Thomas M, Thomson CG, Tomlins C, Wen B, Yeh V, Pearce AC..  (2016)  Optimization of Platelet-Derived Growth Factor Receptor (PDGFR) Inhibitors for Duration of Action, as an Inhaled Therapy for Lung Remodeling in Pulmonary Arterial Hypertension.,  59  (17): [PMID:27502700] [10.1021/acs.jmedchem.6b00703]

Source